N-butan-2-yl-1-phenylcyclohexan-1-amine;hydrochloride

C16H26ClN — CID 53299309

IUPACN-butan-2-yl-1-phenylcyclohexan-1-amine;hydrochloride
SMILESCCC(C)NC1(c2ccccc2)CCCCC1.Cl
InChIInChI=1S/C16H25N.ClH/c1-3-14(2)17-16(12-8-5-9-13-16)15-10-6-4-7-11-15;/h4,6-7,10-11,14,17H,3,5,8-9,12-13H2,1-2H3;1H
InChIKeySHCLNWOHLQKXRR-UHFFFAOYSA-N
MW267.84 g/mol
LogP4.66
Rot. Bonds4

About N-butan-2-yl-1-phenylcyclohexan-1-amine;hydrochloride

N-butan-2-yl-1-phenylcyclohexan-1-amine;hydrochloride (PubChem CID 53299309) has the molecular formula C16H26ClN and a molecular weight of 267.84 g/mol. Its IUPAC name is N-butan-2-yl-1-phenylcyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-butan-2-yl-1-phenylcyclohexan-1-amine;hydrochloride
PubChem CID53299309
Molecular FormulaC16H26ClN
Molecular Weight267.84 g/mol
Exact Mass267.18
IUPAC NameN-butan-2-yl-1-phenylcyclohexan-1-amine;hydrochloride
SMILESCCC(C)NC1(c2ccccc2)CCCCC1.Cl
InChIInChI=1S/C16H25N.ClH/c1-3-14(2)17-16(12-8-5-9-13-16)15-10-6-4-7-11-15;/h4,6-7,10-11,14,17H,3,5,8-9,12-13H2,1-2H3;1H
InChIKeySHCLNWOHLQKXRR-UHFFFAOYSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.84
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-phenylcyclohexan-1-amine;hydrochloride?
The IUPAC name of N-butan-2-yl-1-phenylcyclohexan-1-amine;hydrochloride (CID 53299309) is N-butan-2-yl-1-phenylcyclohexan-1-amine;hydrochloride.
What is the SMILES notation for N-butan-2-yl-1-phenylcyclohexan-1-amine;hydrochloride?
The canonical SMILES for N-butan-2-yl-1-phenylcyclohexan-1-amine;hydrochloride is CCC(C)NC1(c2ccccc2)CCCCC1.Cl.
What is the InChIKey of N-butan-2-yl-1-phenylcyclohexan-1-amine;hydrochloride?
The InChIKey is SHCLNWOHLQKXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N.ClH/c1-3-14(2)17-16(12-8-5-9-13-16)15-10-6-4-7-11-15;/h4,6-7,10-11,14,17H,3,5,8-9,12-13H2,1-2H3;1H.
What are the key properties of N-butan-2-yl-1-phenylcyclohexan-1-amine;hydrochloride?
N-butan-2-yl-1-phenylcyclohexan-1-amine;hydrochloride has a molecular weight of 267.84 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-phenylcyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 53299309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).