1-[4-(1-aminocyclohexyl)hepta-1,6-dien-4-yl]cyclohexan-1-amine

C19H34N2 — CID 66720710

IUPAC1-[4-(1-aminocyclohexyl)hepta-1,6-dien-4-yl]cyclohexan-1-amine
SMILESC=CCC(CC=C)(C1(N)CCCCC1)C1(N)CCCCC1
InChIInChI=1S/C19H34N2/c1-3-11-17(12-4-2,18(20)13-7-5-8-14-18)19(21)15-9-6-10-16-19/h3-4H,1-2,5-16,20-21H2
InChIKeyNAXJXWRHZADIIB-UHFFFAOYSA-N
MW290.50 g/mol
LogP4.45
Rot. Bonds6

About 1-[4-(1-aminocyclohexyl)hepta-1,6-dien-4-yl]cyclohexan-1-amine

1-[4-(1-aminocyclohexyl)hepta-1,6-dien-4-yl]cyclohexan-1-amine (PubChem CID 66720710) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is 1-[4-(1-aminocyclohexyl)hepta-1,6-dien-4-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[4-(1-aminocyclohexyl)hepta-1,6-dien-4-yl]cyclohexan-1-amine
PubChem CID66720710
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC Name1-[4-(1-aminocyclohexyl)hepta-1,6-dien-4-yl]cyclohexan-1-amine
SMILESC=CCC(CC=C)(C1(N)CCCCC1)C1(N)CCCCC1
InChIInChI=1S/C19H34N2/c1-3-11-17(12-4-2,18(20)13-7-5-8-14-18)19(21)15-9-6-10-16-19/h3-4H,1-2,5-16,20-21H2
InChIKeyNAXJXWRHZADIIB-UHFFFAOYSA-N
XLogP4.45
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminocyclohexyl)hepta-1,6-dien-4-yl]cyclohexan-1-amine?
The IUPAC name of 1-[4-(1-aminocyclohexyl)hepta-1,6-dien-4-yl]cyclohexan-1-amine (CID 66720710) is 1-[4-(1-aminocyclohexyl)hepta-1,6-dien-4-yl]cyclohexan-1-amine.
What is the SMILES notation for 1-[4-(1-aminocyclohexyl)hepta-1,6-dien-4-yl]cyclohexan-1-amine?
The canonical SMILES for 1-[4-(1-aminocyclohexyl)hepta-1,6-dien-4-yl]cyclohexan-1-amine is C=CCC(CC=C)(C1(N)CCCCC1)C1(N)CCCCC1.
What is the InChIKey of 1-[4-(1-aminocyclohexyl)hepta-1,6-dien-4-yl]cyclohexan-1-amine?
The InChIKey is NAXJXWRHZADIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-3-11-17(12-4-2,18(20)13-7-5-8-14-18)19(21)15-9-6-10-16-19/h3-4H,1-2,5-16,20-21H2.
What are the key properties of 1-[4-(1-aminocyclohexyl)hepta-1,6-dien-4-yl]cyclohexan-1-amine?
1-[4-(1-aminocyclohexyl)hepta-1,6-dien-4-yl]cyclohexan-1-amine has a molecular weight of 290.50 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminocyclohexyl)hepta-1,6-dien-4-yl]cyclohexan-1-amine is sourced from PubChem (CID 66720710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).