N-propyl-3-(pyridin-3-ylmethyl)cycloheptan-1-amine

C16H26N2 — CID 104737007

IUPACN-propyl-3-(pyridin-3-ylmethyl)cycloheptan-1-amine
SMILESCCCNC1CCCCC(Cc2cccnc2)C1
InChIInChI=1S/C16H26N2/c1-2-9-18-16-8-4-3-6-14(12-16)11-15-7-5-10-17-13-15/h5,7,10,13-14,16,18H,2-4,6,8-9,11-12H2,1H3
InChIKeyZZIWLNWBZLCFDL-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.57
Rot. Bonds5

About N-propyl-3-(pyridin-3-ylmethyl)cycloheptan-1-amine

N-propyl-3-(pyridin-3-ylmethyl)cycloheptan-1-amine (PubChem CID 104737007) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-propyl-3-(pyridin-3-ylmethyl)cycloheptan-1-amine.

Molecular Properties

Compound NameN-propyl-3-(pyridin-3-ylmethyl)cycloheptan-1-amine
PubChem CID104737007
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-propyl-3-(pyridin-3-ylmethyl)cycloheptan-1-amine
SMILESCCCNC1CCCCC(Cc2cccnc2)C1
InChIInChI=1S/C16H26N2/c1-2-9-18-16-8-4-3-6-14(12-16)11-15-7-5-10-17-13-15/h5,7,10,13-14,16,18H,2-4,6,8-9,11-12H2,1H3
InChIKeyZZIWLNWBZLCFDL-UHFFFAOYSA-N
XLogP3.57
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(pyridin-3-ylmethyl)cycloheptan-1-amine
CID 104736993
N-propyl-2-(pyridin-3-ylmethyl)cyclopentan-1-amine
CID 104736957
N-propyl-8-(pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62740890
N-propyl-3-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine
CID 79824744
1-cyclohexyl-N-propyl-4-pyridin-3-ylbutan-2-amine
CID 105135868
1-cycloheptyl-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 105034440
N-(cyclopentylmethyl)-2-pyridin-3-ylethanamine
CID 61344810
3-(4-methyl-3-pyridinyl)-N-propylcyclohexan-1-amine
CID 66272337
3-[(1-propan-2-ylpyrazol-3-yl)methyl]-N-propylcycloheptan-1-amine
CID 64801922
3-[(4-fluorophenyl)methyl]-N-propylcyclopentan-1-amine
CID 64503574
N-(2-pyridin-3-ylethyl)oxepan-4-amine
CID 65082158
2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 62615844

Frequently Asked Questions

What is the IUPAC name of N-propyl-3-(pyridin-3-ylmethyl)cycloheptan-1-amine?
The IUPAC name of N-propyl-3-(pyridin-3-ylmethyl)cycloheptan-1-amine (CID 104737007) is N-propyl-3-(pyridin-3-ylmethyl)cycloheptan-1-amine.
What is the SMILES notation for N-propyl-3-(pyridin-3-ylmethyl)cycloheptan-1-amine?
The canonical SMILES for N-propyl-3-(pyridin-3-ylmethyl)cycloheptan-1-amine is CCCNC1CCCCC(Cc2cccnc2)C1.
What is the InChIKey of N-propyl-3-(pyridin-3-ylmethyl)cycloheptan-1-amine?
The InChIKey is ZZIWLNWBZLCFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-2-9-18-16-8-4-3-6-14(12-16)11-15-7-5-10-17-13-15/h5,7,10,13-14,16,18H,2-4,6,8-9,11-12H2,1H3.
What are the key properties of N-propyl-3-(pyridin-3-ylmethyl)cycloheptan-1-amine?
N-propyl-3-(pyridin-3-ylmethyl)cycloheptan-1-amine has a molecular weight of 246.40 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-propyl-3-(pyridin-3-ylmethyl)cycloheptan-1-amine is sourced from PubChem (CID 104737007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).