N-[[2-(pyridin-4-ylmethyl)cycloheptyl]methyl]cyclopropanamine

C17H26N2 — CID 81026278

IUPACN-[[2-(pyridin-4-ylmethyl)cycloheptyl]methyl]cyclopropanamine
SMILESc1cc(CC2CCCCCC2CNC2CC2)ccn1
InChIInChI=1S/C17H26N2/c1-2-4-15(12-14-8-10-18-11-9-14)16(5-3-1)13-19-17-6-7-17/h8-11,15-17,19H,1-7,12-13H2
InChIKeyJPGAYHHGRHUZCE-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.57
Rot. Bonds5

About N-[[2-(pyridin-4-ylmethyl)cycloheptyl]methyl]cyclopropanamine

N-[[2-(pyridin-4-ylmethyl)cycloheptyl]methyl]cyclopropanamine (PubChem CID 81026278) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-[[2-(pyridin-4-ylmethyl)cycloheptyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(pyridin-4-ylmethyl)cycloheptyl]methyl]cyclopropanamine
PubChem CID81026278
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC NameN-[[2-(pyridin-4-ylmethyl)cycloheptyl]methyl]cyclopropanamine
SMILESc1cc(CC2CCCCCC2CNC2CC2)ccn1
InChIInChI=1S/C17H26N2/c1-2-4-15(12-14-8-10-18-11-9-14)16(5-3-1)13-19-17-6-7-17/h8-11,15-17,19H,1-7,12-13H2
InChIKeyJPGAYHHGRHUZCE-UHFFFAOYSA-N
XLogP3.57
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(pyridin-4-ylmethyl)cycloheptyl]methyl]propan-1-amine
CID 81026013
N-[[2-[[4-(trifluoromethyl)phenyl]methyl]cyclopentyl]methyl]cyclopropanamine
CID 81026989
N-[[2-(pyridin-4-ylmethyl)cyclopentyl]methyl]propan-2-amine
CID 81033564
N-[[2-(thiophen-3-ylmethyl)cyclohexyl]methyl]cyclopropanamine
CID 81024776
2-methyl-N-[[2-(pyridin-4-ylmethyl)cyclopentyl]methyl]propan-2-amine
CID 81028492
N-(pyridin-4-ylmethyl)cyclooctanamine
CID 4722994
N-[[2-[(3,4-dichlorophenyl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 81034512
N-[[2-[(4-iodophenyl)methyl]cyclobutyl]methyl]cyclopropanamine
CID 81017966
N-[[2-(thiophen-3-ylmethyl)cyclopentyl]methyl]cyclopropanamine
CID 81026994
N-[[2-[(4-chloro-3-fluorophenyl)methyl]cyclohexyl]methyl]cyclopropanamine
CID 107889373
N-[[2-[(5-bromothiophen-2-yl)methyl]cycloheptyl]methyl]cyclopropanamine
CID 81025222
N-[[2-[(3-chloro-4-pyridinyl)methyl]cyclobutyl]methyl]cyclopropanamine
CID 81018063

Frequently Asked Questions

What is the IUPAC name of N-[[2-(pyridin-4-ylmethyl)cycloheptyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(pyridin-4-ylmethyl)cycloheptyl]methyl]cyclopropanamine (CID 81026278) is N-[[2-(pyridin-4-ylmethyl)cycloheptyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(pyridin-4-ylmethyl)cycloheptyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(pyridin-4-ylmethyl)cycloheptyl]methyl]cyclopropanamine is c1cc(CC2CCCCCC2CNC2CC2)ccn1.
What is the InChIKey of N-[[2-(pyridin-4-ylmethyl)cycloheptyl]methyl]cyclopropanamine?
The InChIKey is JPGAYHHGRHUZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-2-4-15(12-14-8-10-18-11-9-14)16(5-3-1)13-19-17-6-7-17/h8-11,15-17,19H,1-7,12-13H2.
What are the key properties of N-[[2-(pyridin-4-ylmethyl)cycloheptyl]methyl]cyclopropanamine?
N-[[2-(pyridin-4-ylmethyl)cycloheptyl]methyl]cyclopropanamine has a molecular weight of 258.41 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(pyridin-4-ylmethyl)cycloheptyl]methyl]cyclopropanamine is sourced from PubChem (CID 81026278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).