butane;(3Z)-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane

C29H59N — CID 142281354

IUPACbutane;(3Z)-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane
SMILESC=C(/C=C\C(=C)N(C)C)C(C)CCC(C)C(C)CCC(C)CC.CCC.CCCC
InChIInChI=1S/C22H41N.C4H10.C3H8/c1-10-17(2)11-12-18(3)19(4)13-14-20(5)21(6)15-16-22(7)23(8)9;1-3-4-2;1-3-2/h15-20H,6-7,10-14H2,1-5,8-9H3;3-4H2,1-2H3;3H2,1-2H3/b16-15-;;
InChIKeyRXDOFAJIEYNNIX-NDXGFPCWSA-N
MW421.80 g/mol
LogP9.91
Rot. Bonds13

About butane;(3Z)-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane

butane;(3Z)-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane (PubChem CID 142281354) has the molecular formula C29H59N and a molecular weight of 421.80 g/mol. Its IUPAC name is butane;(3Z)-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane.

Molecular Properties

Compound Namebutane;(3Z)-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane
PubChem CID142281354
Molecular FormulaC29H59N
Molecular Weight421.80 g/mol
Exact Mass421.46
IUPAC Namebutane;(3Z)-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane
SMILESC=C(/C=C\C(=C)N(C)C)C(C)CCC(C)C(C)CCC(C)CC.CCC.CCCC
InChIInChI=1S/C22H41N.C4H10.C3H8/c1-10-17(2)11-12-18(3)19(4)13-14-20(5)21(6)15-16-22(7)23(8)9;1-3-4-2;1-3-2/h15-20H,6-7,10-14H2,1-5,8-9H3;3-4H2,1-2H3;3H2,1-2H3/b16-15-;;
InChIKeyRXDOFAJIEYNNIX-NDXGFPCWSA-N
XLogP9.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.80
LogP ≤ 59.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze butane;(3Z)-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3Z)-3-ethyl-N-[(2E,4Z)-5-[(E)-3-fluorobut-2-en-2-yl]nona-2,4-dienyl]-N,4,5-trimethyldeca-1,3-dien-2-amine
CID 130243094
5-[(3E,5Z)-4-(dimethylamino)hepta-1,3,5-trien-2-yl]-2,6-difluoro-4-(5-methylhept-2-en-4-yl)cyclohexa-1,5-diene-1-carbonitrile
CID 142521393
2-(2-ethylcyclooctyl)-N-fluoro-N,3,5-trimethylcyclohepta-1,3,6-trien-1-amine
CID 155475914
(3Z)-N-[(Z)-2-(1-fluoroethenyl)but-2-enyl]-N,4,5-trimethyl-3-prop-1-en-2-yldeca-1,3-dien-2-amine
CID 166907484
(3E)-3-fluoro-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine
CID 142281793
(E)-3-(2,4-dimethylcyclohex-3-en-1-yl)-N-prop-1-en-2-yl-N-prop-2-enylprop-2-en-1-amine
CID 68302134
(Z)-3-(2,4-dimethylcyclohex-3-en-1-yl)-N-prop-1-en-2-yl-N-prop-2-enylprop-2-en-1-amine
CID 68302340
N-[(Z)-3-(2,4-dimethylcyclohex-3-en-1-yl)prop-2-enyl]-2-methyl-N-prop-1-en-2-ylpropan-1-amine
CID 68302395
(E)-3-(2,4-dimethylcyclohex-3-en-1-yl)-N-ethyl-N-prop-1-en-2-ylprop-2-en-1-amine
CID 68302520
3,7,11,15-tetramethyl-N,N-bis(prop-2-enyl)hexadeca-1,3-dien-1-amine
CID 88699768
3,7,11,15-tetramethyl-N,N-bis(prop-2-enyl)hexadeca-1,3,14-trien-1-amine
CID 88700175
N-[(1Z,3Z)-2-but-3-en-2-ylhexa-1,3,5-trienyl]-4-hept-6-en-3-yl-N,5-dimethylcyclohexa-1,5-dien-1-amine
CID 89965355

Frequently Asked Questions

What is the IUPAC name of butane;(3Z)-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane?
The IUPAC name of butane;(3Z)-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane (CID 142281354) is butane;(3Z)-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane.
What is the SMILES notation for butane;(3Z)-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane?
The canonical SMILES for butane;(3Z)-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane is C=C(/C=C\C(=C)N(C)C)C(C)CCC(C)C(C)CCC(C)CC.CCC.CCCC.
What is the InChIKey of butane;(3Z)-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane?
The InChIKey is RXDOFAJIEYNNIX-NDXGFPCWSA-N. The full InChI is InChI=1S/C22H41N.C4H10.C3H8/c1-10-17(2)11-12-18(3)19(4)13-14-20(5)21(6)15-16-22(7)23(8)9;1-3-4-2;1-3-2/h15-20H,6-7,10-14H2,1-5,8-9H3;3-4H2,1-2H3;3H2,1-2H3/b16-15-;;.
What are the key properties of butane;(3Z)-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane?
butane;(3Z)-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane has a molecular weight of 421.80 g/mol, XLogP of 9.91, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;(3Z)-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane is sourced from PubChem (CID 142281354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).