2-cyclohexyl-N-[2-(1H-imidazol-5-yl)ethyl]cyclohexan-1-amine

C17H29N3 — CID 65232162

IUPAC2-cyclohexyl-N-[2-(1H-imidazol-5-yl)ethyl]cyclohexan-1-amine
SMILESc1ncc(CCNC2CCCCC2C2CCCCC2)[nH]1
InChIInChI=1S/C17H29N3/c1-2-6-14(7-3-1)16-8-4-5-9-17(16)19-11-10-15-12-18-13-20-15/h12-14,16-17,19H,1-11H2,(H,18,20)
InChIKeyFTSRVXSFMJFVQI-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.68
Rot. Bonds5

About 2-cyclohexyl-N-[2-(1H-imidazol-5-yl)ethyl]cyclohexan-1-amine

2-cyclohexyl-N-[2-(1H-imidazol-5-yl)ethyl]cyclohexan-1-amine (PubChem CID 65232162) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-cyclohexyl-N-[2-(1H-imidazol-5-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-cyclohexyl-N-[2-(1H-imidazol-5-yl)ethyl]cyclohexan-1-amine
PubChem CID65232162
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name2-cyclohexyl-N-[2-(1H-imidazol-5-yl)ethyl]cyclohexan-1-amine
SMILESc1ncc(CCNC2CCCCC2C2CCCCC2)[nH]1
InChIInChI=1S/C17H29N3/c1-2-6-14(7-3-1)16-8-4-5-9-17(16)19-11-10-15-12-18-13-20-15/h12-14,16-17,19H,1-11H2,(H,18,20)
InChIKeyFTSRVXSFMJFVQI-UHFFFAOYSA-N
XLogP3.68
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[2-(1H-imidazol-5-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 2-cyclohexyl-N-[2-(1H-imidazol-5-yl)ethyl]cyclohexan-1-amine (CID 65232162) is 2-cyclohexyl-N-[2-(1H-imidazol-5-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 2-cyclohexyl-N-[2-(1H-imidazol-5-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 2-cyclohexyl-N-[2-(1H-imidazol-5-yl)ethyl]cyclohexan-1-amine is c1ncc(CCNC2CCCCC2C2CCCCC2)[nH]1.
What is the InChIKey of 2-cyclohexyl-N-[2-(1H-imidazol-5-yl)ethyl]cyclohexan-1-amine?
The InChIKey is FTSRVXSFMJFVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-2-6-14(7-3-1)16-8-4-5-9-17(16)19-11-10-15-12-18-13-20-15/h12-14,16-17,19H,1-11H2,(H,18,20).
What are the key properties of 2-cyclohexyl-N-[2-(1H-imidazol-5-yl)ethyl]cyclohexan-1-amine?
2-cyclohexyl-N-[2-(1H-imidazol-5-yl)ethyl]cyclohexan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[2-(1H-imidazol-5-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 65232162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).