(3Z)-N,6-dimethyl-5-methylideneundeca-1,3-dien-2-amine;ethane

C16H31N — CID 142239027

IUPAC(3Z)-N,6-dimethyl-5-methylideneundeca-1,3-dien-2-amine;ethane
SMILESC=C(/C=C\C(=C)C(C)CCCCC)NC.CC
InChIInChI=1S/C14H25N.C2H6/c1-6-7-8-9-12(2)13(3)10-11-14(4)15-5;1-2/h10-12,15H,3-4,6-9H2,1-2,5H3;1-2H3/b11-10-;
InChIKeyQNXGKFRCIWGQIT-GMFCBQQYSA-N
MW237.43 g/mol
LogP5.07
Rot. Bonds8

About (3Z)-N,6-dimethyl-5-methylideneundeca-1,3-dien-2-amine;ethane

(3Z)-N,6-dimethyl-5-methylideneundeca-1,3-dien-2-amine;ethane (PubChem CID 142239027) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is (3Z)-N,6-dimethyl-5-methylideneundeca-1,3-dien-2-amine;ethane.

Molecular Properties

Compound Name(3Z)-N,6-dimethyl-5-methylideneundeca-1,3-dien-2-amine;ethane
PubChem CID142239027
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name(3Z)-N,6-dimethyl-5-methylideneundeca-1,3-dien-2-amine;ethane
SMILESC=C(/C=C\C(=C)C(C)CCCCC)NC.CC
InChIInChI=1S/C14H25N.C2H6/c1-6-7-8-9-12(2)13(3)10-11-14(4)15-5;1-2/h10-12,15H,3-4,6-9H2,1-2,5H3;1-2H3/b11-10-;
InChIKeyQNXGKFRCIWGQIT-GMFCBQQYSA-N
XLogP5.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500237.43
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-[(3E,5Z)-4-(1,1-difluoroethyl)hepta-1,3,5-trien-2-yl]-3-[(Z)-prop-1-enyl]-4-propylhept-2-en-1-amine
CID 134293638
(3E,5Z)-N-(2-fluoro-2-methylpropyl)-3,9-dimethyl-6-prop-1-en-2-yldodeca-1,3,5-trien-2-amine
CID 155002025
6-[6-(2-fluoropropan-2-yl)cyclohexa-2,4-dien-1-yl]-N,4a-dimethyl-7-methylidene-4,8-dihydronaphthalen-2-amine
CID 166685924
(3E,5E)-6-(2-fluoropropan-2-yl)-N,7-dimethylnona-1,3,5-trien-4-amine
CID 168926080
3-[2-fluoro-4-(2-propylpentyl)cyclopenta-1,3-dien-1-yl]-N-methylhepta-1,6-dien-2-amine
CID 172389053
2-(2-methylcyclohexyl)-N-(2-methylpropyl)cyclohexa-1,5-dien-1-amine
CID 71234868
(2E,4Z)-4-cyclohex-2-en-1-yl-N-[(2Z,4Z)-hepta-2,4,6-trienyl]hepta-2,4-dien-2-amine
CID 88377038
(2E)-4-[(1R,2S)-2-(2-methylpropyl)cyclopropyl]-N-propylpenta-2,4-dien-2-amine
CID 88576753
N-methyl-2-pentylcyclohexa-1,5-dien-1-amine
CID 89029370
(E,4Z)-N-methyl-4-(2-methylcyclopentylidene)but-2-en-2-amine
CID 89039060
(1Z,3E)-1-(2,4-dimethylcyclobutyl)-N-methylpenta-1,3-dien-3-amine
CID 89044891
(2E,3Z)-3-[(E)-4-ethyl-3-methylhept-2-enylidene]-2-prop-2-enylidene-1H-pyrrole
CID 89044990

Frequently Asked Questions

What is the IUPAC name of (3Z)-N,6-dimethyl-5-methylideneundeca-1,3-dien-2-amine;ethane?
The IUPAC name of (3Z)-N,6-dimethyl-5-methylideneundeca-1,3-dien-2-amine;ethane (CID 142239027) is (3Z)-N,6-dimethyl-5-methylideneundeca-1,3-dien-2-amine;ethane.
What is the SMILES notation for (3Z)-N,6-dimethyl-5-methylideneundeca-1,3-dien-2-amine;ethane?
The canonical SMILES for (3Z)-N,6-dimethyl-5-methylideneundeca-1,3-dien-2-amine;ethane is C=C(/C=C\C(=C)C(C)CCCCC)NC.CC.
What is the InChIKey of (3Z)-N,6-dimethyl-5-methylideneundeca-1,3-dien-2-amine;ethane?
The InChIKey is QNXGKFRCIWGQIT-GMFCBQQYSA-N. The full InChI is InChI=1S/C14H25N.C2H6/c1-6-7-8-9-12(2)13(3)10-11-14(4)15-5;1-2/h10-12,15H,3-4,6-9H2,1-2,5H3;1-2H3/b11-10-;.
What are the key properties of (3Z)-N,6-dimethyl-5-methylideneundeca-1,3-dien-2-amine;ethane?
(3Z)-N,6-dimethyl-5-methylideneundeca-1,3-dien-2-amine;ethane has a molecular weight of 237.43 g/mol, XLogP of 5.07, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N,6-dimethyl-5-methylideneundeca-1,3-dien-2-amine;ethane is sourced from PubChem (CID 142239027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).