5-(6-imino-2,7-dimethylcyclodeca-1,9-dien-1-yl)pentan-1-amine

C17H30N2 — CID 123137693

IUPAC5-(6-imino-2,7-dimethylcyclodeca-1,9-dien-1-yl)pentan-1-amine
SMILES[H]/N=C1\CCCC(C)=C(CCCCCN)C=CCC1C
InChIInChI=1S/C17H30N2/c1-14-8-7-12-17(19)15(2)9-6-11-16(14)10-4-3-5-13-18/h6,11,15,19H,3-5,7-10,12-13,18H2,1-2H3/b11-6?,16-14?,19-17+
InChIKeyYASXNLOVMVTSQO-RNUACPQZSA-N
MW262.44 g/mol
LogP4.61
Rot. Bonds5

About 5-(6-imino-2,7-dimethylcyclodeca-1,9-dien-1-yl)pentan-1-amine

5-(6-imino-2,7-dimethylcyclodeca-1,9-dien-1-yl)pentan-1-amine (PubChem CID 123137693) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 5-(6-imino-2,7-dimethylcyclodeca-1,9-dien-1-yl)pentan-1-amine.

Molecular Properties

Compound Name5-(6-imino-2,7-dimethylcyclodeca-1,9-dien-1-yl)pentan-1-amine
PubChem CID123137693
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name5-(6-imino-2,7-dimethylcyclodeca-1,9-dien-1-yl)pentan-1-amine
SMILES[H]/N=C1\CCCC(C)=C(CCCCCN)C=CCC1C
InChIInChI=1S/C17H30N2/c1-14-8-7-12-17(19)15(2)9-6-11-16(14)10-4-3-5-13-18/h6,11,15,19H,3-5,7-10,12-13,18H2,1-2H3/b11-6?,16-14?,19-17+
InChIKeyYASXNLOVMVTSQO-RNUACPQZSA-N
XLogP4.61
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4E,6E,8E)-6-ethanimidoyl-4-fluoro-11-methyl-3-propyldodeca-4,6,8,10-tetraen-2-amine
CID 167083150
6-Imino-8-methyl-5-(2-methylpropylidene)nonan-1-amine
CID 53951183
9-Dodecanimidoyl-10-imino-9-nonylpentacos-6-en-1-amine
CID 57047580
3-Cyclohexa-1,5-dien-1-yl-1-(5-cyclohexa-1,5-dien-1-ylcyclohexa-1,3-dien-1-yl)-3-iminopropan-1-amine
CID 88580795
(9Z)-3-ethyl-4-imino-9-[3-(4-oct-1-en-3-yl-2,3-dihydronaphthalen-1-yl)propyl]dodeca-9,11-dien-1-amine
CID 88933574
(9E)-4-cyclohexa-1,3-dien-1-yl-9-cyclohexa-1,5-dien-1-yl-2-methyl-11-methylimino-8-[(Z)-prop-1-enyl]dodeca-1,9-dien-6-amine
CID 88992140
3-(Cycloundecen-1-yl)-2-iminocycloundecan-1-amine
CID 91393172
(6R)-3-(cyclohexen-1-yl)-6-[(Z,2S)-2-methanimidoyl-8-methylnon-4-enyl]cyclohex-3-en-1-amine
CID 122664605
7-Ethanimidoyl-6-(2-methylprop-2-enimidoyl)undec-9-en-1-amine
CID 123172137
(4-Cyclohex-3-en-1-ylcyclohexa-1,3-dien-1-yl)-(2-iminocyclohexyl)methanamine
CID 123666967
5-ethyl-8-imino-N-methyl-2-(3-methylidenehexa-1,4-dienyl)non-3-ene-1,9-diamine
CID 123745497
4-But-1-enyl-2-ethyl-5,6,10-trimethyl-7-pent-2-en-2-ylcyclodeca-4,7-dien-1-imine
CID 123875553

Frequently Asked Questions

What is the IUPAC name of 5-(6-imino-2,7-dimethylcyclodeca-1,9-dien-1-yl)pentan-1-amine?
The IUPAC name of 5-(6-imino-2,7-dimethylcyclodeca-1,9-dien-1-yl)pentan-1-amine (CID 123137693) is 5-(6-imino-2,7-dimethylcyclodeca-1,9-dien-1-yl)pentan-1-amine.
What is the SMILES notation for 5-(6-imino-2,7-dimethylcyclodeca-1,9-dien-1-yl)pentan-1-amine?
The canonical SMILES for 5-(6-imino-2,7-dimethylcyclodeca-1,9-dien-1-yl)pentan-1-amine is [H]/N=C1\CCCC(C)=C(CCCCCN)C=CCC1C.
What is the InChIKey of 5-(6-imino-2,7-dimethylcyclodeca-1,9-dien-1-yl)pentan-1-amine?
The InChIKey is YASXNLOVMVTSQO-RNUACPQZSA-N. The full InChI is InChI=1S/C17H30N2/c1-14-8-7-12-17(19)15(2)9-6-11-16(14)10-4-3-5-13-18/h6,11,15,19H,3-5,7-10,12-13,18H2,1-2H3/b11-6?,16-14?,19-17+.
What are the key properties of 5-(6-imino-2,7-dimethylcyclodeca-1,9-dien-1-yl)pentan-1-amine?
5-(6-imino-2,7-dimethylcyclodeca-1,9-dien-1-yl)pentan-1-amine has a molecular weight of 262.44 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-imino-2,7-dimethylcyclodeca-1,9-dien-1-yl)pentan-1-amine is sourced from PubChem (CID 123137693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).