N-[4-[(cyclopropylamino)methyl]phenyl]cycloheptanamine

C17H26N2 — CID 106913373

IUPACN-[4-[(cyclopropylamino)methyl]phenyl]cycloheptanamine
SMILESc1cc(NC2CCCCCC2)ccc1CNC1CC1
InChIInChI=1S/C17H26N2/c1-2-4-6-16(5-3-1)19-17-9-7-14(8-10-17)13-18-15-11-12-15/h7-10,15-16,18-19H,1-6,11-13H2
InChIKeyYFYOLUPFKCDFKZ-UHFFFAOYSA-N
MW258.41 g/mol
LogP4.07
Rot. Bonds5

About N-[4-[(cyclopropylamino)methyl]phenyl]cycloheptanamine

N-[4-[(cyclopropylamino)methyl]phenyl]cycloheptanamine (PubChem CID 106913373) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-[4-[(cyclopropylamino)methyl]phenyl]cycloheptanamine.

Molecular Properties

Compound NameN-[4-[(cyclopropylamino)methyl]phenyl]cycloheptanamine
PubChem CID106913373
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC NameN-[4-[(cyclopropylamino)methyl]phenyl]cycloheptanamine
SMILESc1cc(NC2CCCCCC2)ccc1CNC1CC1
InChIInChI=1S/C17H26N2/c1-2-4-6-16(5-3-1)19-17-9-7-14(8-10-17)13-18-15-11-12-15/h7-10,15-16,18-19H,1-6,11-13H2
InChIKeyYFYOLUPFKCDFKZ-UHFFFAOYSA-N
XLogP4.07
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(cyclohexylamino)methyl]-N-phenylaniline
CID 69114747
N-(4-ethylphenyl)cyclododecanamine
CID 63422898
N-[(4-cyclopentyloxyphenyl)methyl]cyclohexanamine
CID 39372881
N-cyclohexyl-4-[(dimethylamino)methyl]aniline
CID 43747284
benzene;N-benzylcyclohexanamine
CID 142622843
N-[(4-bromophenyl)methyl]cycloheptanamine;hydrochloride
CID 17294485
1-N-benzyl-4-N-cyclohexylbenzene-1,4-diamine
CID 154205278
4-[(cyclopentylamino)methyl]phenol
CID 3873791
N-[(4-propylphenyl)methyl]cyclohexanamine
CID 94685509
N-[(4-tert-butylphenyl)methyl]cycloheptanamine
CID 28509997
N-[(4-cyclopentyloxyphenyl)methyl]cyclopropanamine
CID 39248013
N-[(4-cyclopentyloxyphenyl)methyl]cyclopentanamine
CID 39360486

Frequently Asked Questions

What is the IUPAC name of N-[4-[(cyclopropylamino)methyl]phenyl]cycloheptanamine?
The IUPAC name of N-[4-[(cyclopropylamino)methyl]phenyl]cycloheptanamine (CID 106913373) is N-[4-[(cyclopropylamino)methyl]phenyl]cycloheptanamine.
What is the SMILES notation for N-[4-[(cyclopropylamino)methyl]phenyl]cycloheptanamine?
The canonical SMILES for N-[4-[(cyclopropylamino)methyl]phenyl]cycloheptanamine is c1cc(NC2CCCCCC2)ccc1CNC1CC1.
What is the InChIKey of N-[4-[(cyclopropylamino)methyl]phenyl]cycloheptanamine?
The InChIKey is YFYOLUPFKCDFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-2-4-6-16(5-3-1)19-17-9-7-14(8-10-17)13-18-15-11-12-15/h7-10,15-16,18-19H,1-6,11-13H2.
What are the key properties of N-[4-[(cyclopropylamino)methyl]phenyl]cycloheptanamine?
N-[4-[(cyclopropylamino)methyl]phenyl]cycloheptanamine has a molecular weight of 258.41 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(cyclopropylamino)methyl]phenyl]cycloheptanamine is sourced from PubChem (CID 106913373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).