(7Z,9E)-4-ethenyl-N-(2-methylpropyl)undeca-1,7,9-trien-2-amine

C17H29N — CID 143834869

IUPAC(7Z,9E)-4-ethenyl-N-(2-methylpropyl)undeca-1,7,9-trien-2-amine
SMILESC=CC(CC/C=C\C=C\C)CC(=C)NCC(C)C
InChIInChI=1S/C17H29N/c1-6-8-9-10-11-12-17(7-2)13-16(5)18-14-15(3)4/h6-10,15,17-18H,2,5,11-14H2,1,3-4H3/b8-6+,10-9-
InChIKeyDXWWAERLQXZXIK-YGKWUCAESA-N
MW247.43 g/mol
LogP4.85
Rot. Bonds10

About (7Z,9E)-4-ethenyl-N-(2-methylpropyl)undeca-1,7,9-trien-2-amine

(7Z,9E)-4-ethenyl-N-(2-methylpropyl)undeca-1,7,9-trien-2-amine (PubChem CID 143834869) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is (7Z,9E)-4-ethenyl-N-(2-methylpropyl)undeca-1,7,9-trien-2-amine.

Molecular Properties

Compound Name(7Z,9E)-4-ethenyl-N-(2-methylpropyl)undeca-1,7,9-trien-2-amine
PubChem CID143834869
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name(7Z,9E)-4-ethenyl-N-(2-methylpropyl)undeca-1,7,9-trien-2-amine
SMILESC=CC(CC/C=C\C=C\C)CC(=C)NCC(C)C
InChIInChI=1S/C17H29N/c1-6-8-9-10-11-12-17(7-2)13-16(5)18-14-15(3)4/h6-10,15,17-18H,2,5,11-14H2,1,3-4H3/b8-6+,10-9-
InChIKeyDXWWAERLQXZXIK-YGKWUCAESA-N
XLogP4.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3E,8Z,10E)-N-(2-methylpropyl)dodeca-1,3,8,10-tetraen-2-amine
CID 89203985
(2E,7Z,9E)-N-(2-methylpropyl)undeca-2,7,9-trienamide
CID 10776149
5-methyl-N-(2-methylpropyl)hex-1-en-2-amine
CID 153336288
6-(carboxymethyl)-3-ethenyl-9-hexa-2,4-dienylundecanedioic acid
CID 175464511
N-buta-1,3-dien-2-yl-2-methylpropan-1-amine
CID 139321589
(5Z,7Z)-3-methylnona-1,5,7-triene
CID 142930221
(2E,4E,8E)-N-(2-methylpropyl)undeca-2,4,8,10-tetraenamide
CID 132536757
(3E,6Z,8E)-N-(2-methylpropyl)deca-3,6,8-trienamide
CID 58249820
(3R,6Z)-3-methyl-N-(3-methylbutyl)nona-1,6,8-trien-2-amine
CID 153393660
N-(2-methylpropyl)trideca-2,4,12-trienamide
CID 87901236
(6E)-3-methylocta-1,6-diene
CID 14140905
4-methyldodeca-1,6,8,10-tetraene
CID 123717396

Frequently Asked Questions

What is the IUPAC name of (7Z,9E)-4-ethenyl-N-(2-methylpropyl)undeca-1,7,9-trien-2-amine?
The IUPAC name of (7Z,9E)-4-ethenyl-N-(2-methylpropyl)undeca-1,7,9-trien-2-amine (CID 143834869) is (7Z,9E)-4-ethenyl-N-(2-methylpropyl)undeca-1,7,9-trien-2-amine.
What is the SMILES notation for (7Z,9E)-4-ethenyl-N-(2-methylpropyl)undeca-1,7,9-trien-2-amine?
The canonical SMILES for (7Z,9E)-4-ethenyl-N-(2-methylpropyl)undeca-1,7,9-trien-2-amine is C=CC(CC/C=C\C=C\C)CC(=C)NCC(C)C.
What is the InChIKey of (7Z,9E)-4-ethenyl-N-(2-methylpropyl)undeca-1,7,9-trien-2-amine?
The InChIKey is DXWWAERLQXZXIK-YGKWUCAESA-N. The full InChI is InChI=1S/C17H29N/c1-6-8-9-10-11-12-17(7-2)13-16(5)18-14-15(3)4/h6-10,15,17-18H,2,5,11-14H2,1,3-4H3/b8-6+,10-9-.
What are the key properties of (7Z,9E)-4-ethenyl-N-(2-methylpropyl)undeca-1,7,9-trien-2-amine?
(7Z,9E)-4-ethenyl-N-(2-methylpropyl)undeca-1,7,9-trien-2-amine has a molecular weight of 247.43 g/mol, XLogP of 4.85, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z,9E)-4-ethenyl-N-(2-methylpropyl)undeca-1,7,9-trien-2-amine is sourced from PubChem (CID 143834869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).