4-[4-(4-aminocyclohexyl)heptan-4-yl]cyclohexan-1-amine;4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine

C32H64N4 — CID 70405450

IUPAC4-[4-(4-aminocyclohexyl)heptan-4-yl]cyclohexan-1-amine;4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine
SMILESCCCC(CCC)(C1CCC(N)CC1)C1CCC(N)CC1.NC1CCC(CC2CCC(N)CC2)CC1
InChIInChI=1S/C19H38N2.C13H26N2/c1-3-13-19(14-4-2,15-5-9-17(20)10-6-15)16-7-11-18(21)12-8-16;14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h15-18H,3-14,20-21H2,1-2H3;10-13H,1-9,14-15H2
InChIKeyFUCIOGCGVGBVQZ-UHFFFAOYSA-N
MW504.89 g/mol
LogP7.02
Rot. Bonds8

About 4-[4-(4-aminocyclohexyl)heptan-4-yl]cyclohexan-1-amine;4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine

4-[4-(4-aminocyclohexyl)heptan-4-yl]cyclohexan-1-amine;4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine (PubChem CID 70405450) has the molecular formula C32H64N4 and a molecular weight of 504.89 g/mol. Its IUPAC name is 4-[4-(4-aminocyclohexyl)heptan-4-yl]cyclohexan-1-amine;4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[4-(4-aminocyclohexyl)heptan-4-yl]cyclohexan-1-amine;4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine
PubChem CID70405450
Molecular FormulaC32H64N4
Molecular Weight504.89 g/mol
Exact Mass504.51
IUPAC Name4-[4-(4-aminocyclohexyl)heptan-4-yl]cyclohexan-1-amine;4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine
SMILESCCCC(CCC)(C1CCC(N)CC1)C1CCC(N)CC1.NC1CCC(CC2CCC(N)CC2)CC1
InChIInChI=1S/C19H38N2.C13H26N2/c1-3-13-19(14-4-2,15-5-9-17(20)10-6-15)16-7-11-18(21)12-8-16;14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h15-18H,3-14,20-21H2,1-2H3;10-13H,1-9,14-15H2
InChIKeyFUCIOGCGVGBVQZ-UHFFFAOYSA-N
XLogP7.02
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.89
LogP ≤ 57.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-aminocyclohexyl)heptan-4-yl]cyclohexan-1-amine;4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine?
The IUPAC name of 4-[4-(4-aminocyclohexyl)heptan-4-yl]cyclohexan-1-amine;4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine (CID 70405450) is 4-[4-(4-aminocyclohexyl)heptan-4-yl]cyclohexan-1-amine;4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[4-(4-aminocyclohexyl)heptan-4-yl]cyclohexan-1-amine;4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-[4-(4-aminocyclohexyl)heptan-4-yl]cyclohexan-1-amine;4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine is CCCC(CCC)(C1CCC(N)CC1)C1CCC(N)CC1.NC1CCC(CC2CCC(N)CC2)CC1.
What is the InChIKey of 4-[4-(4-aminocyclohexyl)heptan-4-yl]cyclohexan-1-amine;4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine?
The InChIKey is FUCIOGCGVGBVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2.C13H26N2/c1-3-13-19(14-4-2,15-5-9-17(20)10-6-15)16-7-11-18(21)12-8-16;14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h15-18H,3-14,20-21H2,1-2H3;10-13H,1-9,14-15H2.
What are the key properties of 4-[4-(4-aminocyclohexyl)heptan-4-yl]cyclohexan-1-amine;4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine?
4-[4-(4-aminocyclohexyl)heptan-4-yl]cyclohexan-1-amine;4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine has a molecular weight of 504.89 g/mol, XLogP of 7.02, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-aminocyclohexyl)heptan-4-yl]cyclohexan-1-amine;4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 70405450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).