N-cyclohexyl-N-pentan-3-ylcyclohexanamine

C17H33N — CID 13497222

IUPACN-cyclohexyl-N-pentan-3-ylcyclohexanamine
SMILESCCC(CC)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C17H33N/c1-3-15(4-2)18(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h15-17H,3-14H2,1-2H3
InChIKeyRQYIRZGQMRSNCG-UHFFFAOYSA-N
MW251.46 g/mol
LogP5.14
Rot. Bonds5

About N-cyclohexyl-N-pentan-3-ylcyclohexanamine

N-cyclohexyl-N-pentan-3-ylcyclohexanamine (PubChem CID 13497222) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is N-cyclohexyl-N-pentan-3-ylcyclohexanamine.

Molecular Properties

Compound NameN-cyclohexyl-N-pentan-3-ylcyclohexanamine
PubChem CID13497222
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC NameN-cyclohexyl-N-pentan-3-ylcyclohexanamine
SMILESCCC(CC)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C17H33N/c1-3-15(4-2)18(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h15-17H,3-14H2,1-2H3
InChIKeyRQYIRZGQMRSNCG-UHFFFAOYSA-N
XLogP5.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.46
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-pentan-3-ylcyclohexanamine?
The IUPAC name of N-cyclohexyl-N-pentan-3-ylcyclohexanamine (CID 13497222) is N-cyclohexyl-N-pentan-3-ylcyclohexanamine.
What is the SMILES notation for N-cyclohexyl-N-pentan-3-ylcyclohexanamine?
The canonical SMILES for N-cyclohexyl-N-pentan-3-ylcyclohexanamine is CCC(CC)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-pentan-3-ylcyclohexanamine?
The InChIKey is RQYIRZGQMRSNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-3-15(4-2)18(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h15-17H,3-14H2,1-2H3.
What are the key properties of N-cyclohexyl-N-pentan-3-ylcyclohexanamine?
N-cyclohexyl-N-pentan-3-ylcyclohexanamine has a molecular weight of 251.46 g/mol, XLogP of 5.14, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-pentan-3-ylcyclohexanamine is sourced from PubChem (CID 13497222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).