(4Z,6E)-7,8-dimethyl-3-methylidene-N-[(4Z)-5-propan-2-ylhepta-4,6-dien-2-yl]nona-4,6-dien-2-amine

C22H37N — CID 134511697

IUPAC(4Z,6E)-7,8-dimethyl-3-methylidene-N-[(4Z)-5-propan-2-ylhepta-4,6-dien-2-yl]nona-4,6-dien-2-amine
SMILESC=C/C(=C\CC(C)NC(C)C(=C)/C=C\C=C(/C)C(C)C)C(C)C
InChIInChI=1S/C22H37N/c1-10-22(17(4)5)15-14-20(8)23-21(9)19(7)13-11-12-18(6)16(2)3/h10-13,15-17,20-21,23H,1,7,14H2,2-6,8-9H3/b13-11-,18-12+,22-15+
InChIKeyKXNMZEUAIQFLFH-WRNLRQPMSA-N
MW315.55 g/mol
LogP6.23
Rot. Bonds10

About (4Z,6E)-7,8-dimethyl-3-methylidene-N-[(4Z)-5-propan-2-ylhepta-4,6-dien-2-yl]nona-4,6-dien-2-amine

(4Z,6E)-7,8-dimethyl-3-methylidene-N-[(4Z)-5-propan-2-ylhepta-4,6-dien-2-yl]nona-4,6-dien-2-amine (PubChem CID 134511697) has the molecular formula C22H37N and a molecular weight of 315.55 g/mol. Its IUPAC name is (4Z,6E)-7,8-dimethyl-3-methylidene-N-[(4Z)-5-propan-2-ylhepta-4,6-dien-2-yl]nona-4,6-dien-2-amine.

Molecular Properties

Compound Name(4Z,6E)-7,8-dimethyl-3-methylidene-N-[(4Z)-5-propan-2-ylhepta-4,6-dien-2-yl]nona-4,6-dien-2-amine
PubChem CID134511697
Molecular FormulaC22H37N
Molecular Weight315.55 g/mol
Exact Mass315.29
IUPAC Name(4Z,6E)-7,8-dimethyl-3-methylidene-N-[(4Z)-5-propan-2-ylhepta-4,6-dien-2-yl]nona-4,6-dien-2-amine
SMILESC=C/C(=C\CC(C)NC(C)C(=C)/C=C\C=C(/C)C(C)C)C(C)C
InChIInChI=1S/C22H37N/c1-10-22(17(4)5)15-14-20(8)23-21(9)19(7)13-11-12-18(6)16(2)3/h10-13,15-17,20-21,23H,1,7,14H2,2-6,8-9H3/b13-11-,18-12+,22-15+
InChIKeyKXNMZEUAIQFLFH-WRNLRQPMSA-N
XLogP6.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.55
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z,6E)-7,8-dimethyl-3-methylidene-N-[(4Z)-5-propan-2-ylhepta-4,6-dien-2-yl]nona-4,6-dien-2-amine?
The IUPAC name of (4Z,6E)-7,8-dimethyl-3-methylidene-N-[(4Z)-5-propan-2-ylhepta-4,6-dien-2-yl]nona-4,6-dien-2-amine (CID 134511697) is (4Z,6E)-7,8-dimethyl-3-methylidene-N-[(4Z)-5-propan-2-ylhepta-4,6-dien-2-yl]nona-4,6-dien-2-amine.
What is the SMILES notation for (4Z,6E)-7,8-dimethyl-3-methylidene-N-[(4Z)-5-propan-2-ylhepta-4,6-dien-2-yl]nona-4,6-dien-2-amine?
The canonical SMILES for (4Z,6E)-7,8-dimethyl-3-methylidene-N-[(4Z)-5-propan-2-ylhepta-4,6-dien-2-yl]nona-4,6-dien-2-amine is C=C/C(=C\CC(C)NC(C)C(=C)/C=C\C=C(/C)C(C)C)C(C)C.
What is the InChIKey of (4Z,6E)-7,8-dimethyl-3-methylidene-N-[(4Z)-5-propan-2-ylhepta-4,6-dien-2-yl]nona-4,6-dien-2-amine?
The InChIKey is KXNMZEUAIQFLFH-WRNLRQPMSA-N. The full InChI is InChI=1S/C22H37N/c1-10-22(17(4)5)15-14-20(8)23-21(9)19(7)13-11-12-18(6)16(2)3/h10-13,15-17,20-21,23H,1,7,14H2,2-6,8-9H3/b13-11-,18-12+,22-15+.
What are the key properties of (4Z,6E)-7,8-dimethyl-3-methylidene-N-[(4Z)-5-propan-2-ylhepta-4,6-dien-2-yl]nona-4,6-dien-2-amine?
(4Z,6E)-7,8-dimethyl-3-methylidene-N-[(4Z)-5-propan-2-ylhepta-4,6-dien-2-yl]nona-4,6-dien-2-amine has a molecular weight of 315.55 g/mol, XLogP of 6.23, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6E)-7,8-dimethyl-3-methylidene-N-[(4Z)-5-propan-2-ylhepta-4,6-dien-2-yl]nona-4,6-dien-2-amine is sourced from PubChem (CID 134511697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).