2-[(2-aminocyclohexyl)methyl]cyclohexan-1-amine;2-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine

C26H52N4 — CID 118512121

IUPAC2-[(2-aminocyclohexyl)methyl]cyclohexan-1-amine;2-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine
SMILESNC1CCC(CC2CCCCC2N)CC1.NC1CCCCC1CC1CCCCC1N
InChIInChI=1S/2C13H26N2/c14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)15;14-12-7-5-10(6-8-12)9-11-3-1-2-4-13(11)15/h2*10-13H,1-9,14-15H2
InChIKeySIYMNKCKIUWENW-UHFFFAOYSA-N
MW420.73 g/mol
LogP4.82
Rot. Bonds4

About 2-[(2-aminocyclohexyl)methyl]cyclohexan-1-amine;2-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine

2-[(2-aminocyclohexyl)methyl]cyclohexan-1-amine;2-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine (PubChem CID 118512121) has the molecular formula C26H52N4 and a molecular weight of 420.73 g/mol. Its IUPAC name is 2-[(2-aminocyclohexyl)methyl]cyclohexan-1-amine;2-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-[(2-aminocyclohexyl)methyl]cyclohexan-1-amine;2-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine
PubChem CID118512121
Molecular FormulaC26H52N4
Molecular Weight420.73 g/mol
Exact Mass420.42
IUPAC Name2-[(2-aminocyclohexyl)methyl]cyclohexan-1-amine;2-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine
SMILESNC1CCC(CC2CCCCC2N)CC1.NC1CCCCC1CC1CCCCC1N
InChIInChI=1S/2C13H26N2/c14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)15;14-12-7-5-10(6-8-12)9-11-3-1-2-4-13(11)15/h2*10-13H,1-9,14-15H2
InChIKeySIYMNKCKIUWENW-UHFFFAOYSA-N
XLogP4.82
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.73
LogP ≤ 54.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminocyclohexyl)methyl]cyclohexan-1-amine;2-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine?
The IUPAC name of 2-[(2-aminocyclohexyl)methyl]cyclohexan-1-amine;2-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine (CID 118512121) is 2-[(2-aminocyclohexyl)methyl]cyclohexan-1-amine;2-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-[(2-aminocyclohexyl)methyl]cyclohexan-1-amine;2-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2-[(2-aminocyclohexyl)methyl]cyclohexan-1-amine;2-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine is NC1CCC(CC2CCCCC2N)CC1.NC1CCCCC1CC1CCCCC1N.
What is the InChIKey of 2-[(2-aminocyclohexyl)methyl]cyclohexan-1-amine;2-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine?
The InChIKey is SIYMNKCKIUWENW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H26N2/c14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)15;14-12-7-5-10(6-8-12)9-11-3-1-2-4-13(11)15/h2*10-13H,1-9,14-15H2.
What are the key properties of 2-[(2-aminocyclohexyl)methyl]cyclohexan-1-amine;2-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine?
2-[(2-aminocyclohexyl)methyl]cyclohexan-1-amine;2-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine has a molecular weight of 420.73 g/mol, XLogP of 4.82, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminocyclohexyl)methyl]cyclohexan-1-amine;2-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 118512121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).