(3E,5Z)-6-methyl-N-[(3S)-7-methyloctan-3-yl]nona-1,3,5-trien-3-amine

C19H35N — CID 135278146

IUPAC(3E,5Z)-6-methyl-N-[(3S)-7-methyloctan-3-yl]nona-1,3,5-trien-3-amine
SMILESC=C/C(=C\C=C(\C)CCC)N[C@@H](CC)CCCC(C)C
InChIInChI=1S/C19H35N/c1-7-11-17(6)14-15-19(9-3)20-18(8-2)13-10-12-16(4)5/h9,14-16,18,20H,3,7-8,10-13H2,1-2,4-6H3/b17-14-,19-15+/t18-/m0/s1
InChIKeyRJBHJACQQJDAIQ-OLWHEQAKSA-N
MW277.50 g/mol
LogP6.00
Rot. Bonds11

About (3E,5Z)-6-methyl-N-[(3S)-7-methyloctan-3-yl]nona-1,3,5-trien-3-amine

(3E,5Z)-6-methyl-N-[(3S)-7-methyloctan-3-yl]nona-1,3,5-trien-3-amine (PubChem CID 135278146) has the molecular formula C19H35N and a molecular weight of 277.50 g/mol. Its IUPAC name is (3E,5Z)-6-methyl-N-[(3S)-7-methyloctan-3-yl]nona-1,3,5-trien-3-amine.

Molecular Properties

Compound Name(3E,5Z)-6-methyl-N-[(3S)-7-methyloctan-3-yl]nona-1,3,5-trien-3-amine
PubChem CID135278146
Molecular FormulaC19H35N
Molecular Weight277.50 g/mol
Exact Mass277.28
IUPAC Name(3E,5Z)-6-methyl-N-[(3S)-7-methyloctan-3-yl]nona-1,3,5-trien-3-amine
SMILESC=C/C(=C\C=C(\C)CCC)N[C@@H](CC)CCCC(C)C
InChIInChI=1S/C19H35N/c1-7-11-17(6)14-15-19(9-3)20-18(8-2)13-10-12-16(4)5/h9,14-16,18,20H,3,7-8,10-13H2,1-2,4-6H3/b17-14-,19-15+/t18-/m0/s1
InChIKeyRJBHJACQQJDAIQ-OLWHEQAKSA-N
XLogP6.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.50
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3E,5Z)-6-methyl-N-[(3S)-7-methyloctan-3-yl]nona-1,3,5-trien-3-amine with MolForge

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Related Compounds

(3E,5Z)-N,6-dimethylocta-1,3,5-trien-3-amine
CID 155329914
(3Z,5E)-6,9-dimethyl-3-propan-2-yldeca-1,3,5-triene
CID 176935122
(3Z,5E)-3,6-dimethyl-8-propylundeca-1,3,5-triene
CID 169188657
N-tetradecan-3-ylprop-2-enamide
CID 54185556
6,10,14-trimethylpentadeca-1,3,5-triene
CID 154255847
6-(methylamino)octan-2-ol
CID 170714877
ethane;N-[(3E)-hexa-1,3,5-trien-3-yl]-4-methylpentan-1-amine
CID 170600051
N-(6-methylheptan-2-yl)butanamide
CID 60644759
N-(6-aminohexan-3-yl)prop-2-enamide
CID 90258074
10-methyl-3-methylideneundec-1-ene
CID 144855567
3,7-dimethyldeca-1,4,6-triene
CID 123725882
(3Z,5Z)-6-methyl-3-(methylamino)nona-1,3,5-trien-2-ol
CID 142310856

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-6-methyl-N-[(3S)-7-methyloctan-3-yl]nona-1,3,5-trien-3-amine?
The IUPAC name of (3E,5Z)-6-methyl-N-[(3S)-7-methyloctan-3-yl]nona-1,3,5-trien-3-amine (CID 135278146) is (3E,5Z)-6-methyl-N-[(3S)-7-methyloctan-3-yl]nona-1,3,5-trien-3-amine.
What is the SMILES notation for (3E,5Z)-6-methyl-N-[(3S)-7-methyloctan-3-yl]nona-1,3,5-trien-3-amine?
The canonical SMILES for (3E,5Z)-6-methyl-N-[(3S)-7-methyloctan-3-yl]nona-1,3,5-trien-3-amine is C=C/C(=C\C=C(\C)CCC)N[C@@H](CC)CCCC(C)C.
What is the InChIKey of (3E,5Z)-6-methyl-N-[(3S)-7-methyloctan-3-yl]nona-1,3,5-trien-3-amine?
The InChIKey is RJBHJACQQJDAIQ-OLWHEQAKSA-N. The full InChI is InChI=1S/C19H35N/c1-7-11-17(6)14-15-19(9-3)20-18(8-2)13-10-12-16(4)5/h9,14-16,18,20H,3,7-8,10-13H2,1-2,4-6H3/b17-14-,19-15+/t18-/m0/s1.
What are the key properties of (3E,5Z)-6-methyl-N-[(3S)-7-methyloctan-3-yl]nona-1,3,5-trien-3-amine?
(3E,5Z)-6-methyl-N-[(3S)-7-methyloctan-3-yl]nona-1,3,5-trien-3-amine has a molecular weight of 277.50 g/mol, XLogP of 6.00, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-6-methyl-N-[(3S)-7-methyloctan-3-yl]nona-1,3,5-trien-3-amine is sourced from PubChem (CID 135278146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).