butane;ethane;3-methylpentan-1-amine;(Z)-N-pent-1-en-2-ylhex-3-en-2-imine

C23H50N2 — CID 142120267

IUPACbutane;ethane;3-methylpentan-1-amine;(Z)-N-pent-1-en-2-ylhex-3-en-2-imine
SMILESC=C(CCC)/N=C(C)/C=C\CC.CC.CCC(C)CCN.CCCC
InChIInChI=1S/C11H19N.C6H15N.C4H10.C2H6/c1-5-7-9-11(4)12-10(3)8-6-2;1-3-6(2)4-5-7;1-3-4-2;1-2/h7,9H,3,5-6,8H2,1-2,4H3;6H,3-5,7H2,1-2H3;3-4H2,1-2H3;1-2H3/b9-7-,12-11+;;;
InChIKeyJDUBSUVCDJGPEY-QWXPPKRESA-N
MW354.67 g/mol
LogP7.94
Rot. Bonds9

About butane;ethane;3-methylpentan-1-amine;(Z)-N-pent-1-en-2-ylhex-3-en-2-imine

butane;ethane;3-methylpentan-1-amine;(Z)-N-pent-1-en-2-ylhex-3-en-2-imine (PubChem CID 142120267) has the molecular formula C23H50N2 and a molecular weight of 354.67 g/mol. Its IUPAC name is butane;ethane;3-methylpentan-1-amine;(Z)-N-pent-1-en-2-ylhex-3-en-2-imine.

Molecular Properties

Compound Namebutane;ethane;3-methylpentan-1-amine;(Z)-N-pent-1-en-2-ylhex-3-en-2-imine
PubChem CID142120267
Molecular FormulaC23H50N2
Molecular Weight354.67 g/mol
Exact Mass354.40
IUPAC Namebutane;ethane;3-methylpentan-1-amine;(Z)-N-pent-1-en-2-ylhex-3-en-2-imine
SMILESC=C(CCC)/N=C(C)/C=C\CC.CC.CCC(C)CCN.CCCC
InChIInChI=1S/C11H19N.C6H15N.C4H10.C2H6/c1-5-7-9-11(4)12-10(3)8-6-2;1-3-6(2)4-5-7;1-3-4-2;1-2/h7,9H,3,5-6,8H2,1-2,4H3;6H,3-5,7H2,1-2H3;3-4H2,1-2H3;1-2H3/b9-7-,12-11+;;;
InChIKeyJDUBSUVCDJGPEY-QWXPPKRESA-N
XLogP7.94
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.67
LogP ≤ 57.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze butane;ethane;3-methylpentan-1-amine;(Z)-N-pent-1-en-2-ylhex-3-en-2-imine with MolForge

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Launch Full Analysis

Related Compounds

6-Methyl-2-propan-2-yliminohept-3-en-4-amine
CID 87697171
(Z)-3-ethyl-4-methyliminonon-5-en-1-amine
CID 91420602
7-(1-Amino-3-methylbutyl)iminooct-5-en-1-amine
CID 123446462
(E)-2-ethyl-3-[(Z)-3-methylnon-6-enyl]iminopent-1-en-1-amine
CID 130442162
(Z)-1-[[(Z)-3-ethylhex-4-en-2-ylidene]amino]-4-methylpent-1-en-2-amine
CID 134345725
(E)-2-ethyl-3-methyl-4-[(6-methyl-2-methylidene-3-pyridinylidene)amino]but-3-en-1-amine
CID 135160857
[6-methyl-2-[(Z)-prop-1-enyl]-3,4-dihydropyridin-4-yl]methanamine
CID 144125393
(3E,8E)-4-(ethylideneamino)-2-imino-6-methyldeca-3,8-dien-3-amine
CID 146635344
(Z)-5-[(3Z)-5-ethylocta-3,7-dienyl]imino-2-methylhex-3-en-3-amine
CID 169948600
(2Z,6Z)-N-[(3S)-3-ethyl-4-methylpent-4-enyl]-8-imino-5-methylnona-2,6-dien-2-amine
CID 170131384
(11Z,13Z)-8-[[(1E,4Z,6Z)-cycloocta-1,4,6-trien-1-yl]methylimino]-13-methyl-10-methylidene-5-[(Z)-prop-1-enyl]pentadeca-1,6,11,13-tetraen-6-amine
CID 173922720
(8E)-4-ethenylimino-6-methyldeca-2,8-diene-2,3-diamine
CID 174012726

Frequently Asked Questions

What is the IUPAC name of butane;ethane;3-methylpentan-1-amine;(Z)-N-pent-1-en-2-ylhex-3-en-2-imine?
The IUPAC name of butane;ethane;3-methylpentan-1-amine;(Z)-N-pent-1-en-2-ylhex-3-en-2-imine (CID 142120267) is butane;ethane;3-methylpentan-1-amine;(Z)-N-pent-1-en-2-ylhex-3-en-2-imine.
What is the SMILES notation for butane;ethane;3-methylpentan-1-amine;(Z)-N-pent-1-en-2-ylhex-3-en-2-imine?
The canonical SMILES for butane;ethane;3-methylpentan-1-amine;(Z)-N-pent-1-en-2-ylhex-3-en-2-imine is C=C(CCC)/N=C(C)/C=C\CC.CC.CCC(C)CCN.CCCC.
What is the InChIKey of butane;ethane;3-methylpentan-1-amine;(Z)-N-pent-1-en-2-ylhex-3-en-2-imine?
The InChIKey is JDUBSUVCDJGPEY-QWXPPKRESA-N. The full InChI is InChI=1S/C11H19N.C6H15N.C4H10.C2H6/c1-5-7-9-11(4)12-10(3)8-6-2;1-3-6(2)4-5-7;1-3-4-2;1-2/h7,9H,3,5-6,8H2,1-2,4H3;6H,3-5,7H2,1-2H3;3-4H2,1-2H3;1-2H3/b9-7-,12-11+;;;.
What are the key properties of butane;ethane;3-methylpentan-1-amine;(Z)-N-pent-1-en-2-ylhex-3-en-2-imine?
butane;ethane;3-methylpentan-1-amine;(Z)-N-pent-1-en-2-ylhex-3-en-2-imine has a molecular weight of 354.67 g/mol, XLogP of 7.94, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethane;3-methylpentan-1-amine;(Z)-N-pent-1-en-2-ylhex-3-en-2-imine is sourced from PubChem (CID 142120267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).