N-[(4-propan-2-ylphenyl)methyl]cycloheptanamine;hydrochloride

C17H28ClN — CID 17331879

IUPACN-[(4-propan-2-ylphenyl)methyl]cycloheptanamine;hydrochloride
SMILESCC(C)c1ccc(CNC2CCCCCC2)cc1.Cl
InChIInChI=1S/C17H27N.ClH/c1-14(2)16-11-9-15(10-12-16)13-18-17-7-5-3-4-6-8-17;/h9-12,14,17-18H,3-8,13H2,1-2H3;1H
InChIKeyORHLHHWLKWSDNK-UHFFFAOYSA-N
MW281.87 g/mol
LogP5.04
Rot. Bonds4

About N-[(4-propan-2-ylphenyl)methyl]cycloheptanamine;hydrochloride

N-[(4-propan-2-ylphenyl)methyl]cycloheptanamine;hydrochloride (PubChem CID 17331879) has the molecular formula C17H28ClN and a molecular weight of 281.87 g/mol. Its IUPAC name is N-[(4-propan-2-ylphenyl)methyl]cycloheptanamine;hydrochloride.

Molecular Properties

Compound NameN-[(4-propan-2-ylphenyl)methyl]cycloheptanamine;hydrochloride
PubChem CID17331879
Molecular FormulaC17H28ClN
Molecular Weight281.87 g/mol
Exact Mass281.19
IUPAC NameN-[(4-propan-2-ylphenyl)methyl]cycloheptanamine;hydrochloride
SMILESCC(C)c1ccc(CNC2CCCCCC2)cc1.Cl
InChIInChI=1S/C17H27N.ClH/c1-14(2)16-11-9-15(10-12-16)13-18-17-7-5-3-4-6-8-17;/h9-12,14,17-18H,3-8,13H2,1-2H3;1H
InChIKeyORHLHHWLKWSDNK-UHFFFAOYSA-N
XLogP5.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.87
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-propan-2-ylphenyl)methyl]cyclopropanamine
CID 4723387
4,4-dimethyl-N-[(4-propan-2-ylphenyl)methyl]cycloheptan-1-amine
CID 65083512
1-N,2-N-bis[(4-propan-2-ylphenyl)methyl]cyclohexane-1,2-diamine
CID 18914017
4-ethyl-N-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-amine
CID 63454429
(1S)-1-cycloheptyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 81390306
(1R)-1-cycloheptyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 81388470
3-propan-2-yl-N-[(4-propan-2-ylphenyl)methyl]cyclobutan-1-amine
CID 103561839
N-[(3-propan-2-ylphenyl)methyl]cyclopentanamine
CID 126684599
trans-(1R,2R)-2-[(4-propan-2-ylphenyl)methylamino]cyclohexan-1-ol
CID 104923295
N-[(4-bromophenyl)methyl]cycloheptanamine;hydrochloride
CID 17294485
N-[[4-(dimethylamino)phenyl]methyl]cyclooctanamine;hydrochloride
CID 17332385
2-chloro-N-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-amine
CID 65025552

Frequently Asked Questions

What is the IUPAC name of N-[(4-propan-2-ylphenyl)methyl]cycloheptanamine;hydrochloride?
The IUPAC name of N-[(4-propan-2-ylphenyl)methyl]cycloheptanamine;hydrochloride (CID 17331879) is N-[(4-propan-2-ylphenyl)methyl]cycloheptanamine;hydrochloride.
What is the SMILES notation for N-[(4-propan-2-ylphenyl)methyl]cycloheptanamine;hydrochloride?
The canonical SMILES for N-[(4-propan-2-ylphenyl)methyl]cycloheptanamine;hydrochloride is CC(C)c1ccc(CNC2CCCCCC2)cc1.Cl.
What is the InChIKey of N-[(4-propan-2-ylphenyl)methyl]cycloheptanamine;hydrochloride?
The InChIKey is ORHLHHWLKWSDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N.ClH/c1-14(2)16-11-9-15(10-12-16)13-18-17-7-5-3-4-6-8-17;/h9-12,14,17-18H,3-8,13H2,1-2H3;1H.
What are the key properties of N-[(4-propan-2-ylphenyl)methyl]cycloheptanamine;hydrochloride?
N-[(4-propan-2-ylphenyl)methyl]cycloheptanamine;hydrochloride has a molecular weight of 281.87 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propan-2-ylphenyl)methyl]cycloheptanamine;hydrochloride is sourced from PubChem (CID 17331879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).