N-[2-[1-(benzylamino)cyclopropyl]ethyl]pyridin-3-amine

C17H21N3 — CID 91068579

IUPACN-[2-[1-(benzylamino)cyclopropyl]ethyl]pyridin-3-amine
SMILESc1ccc(CNC2(CCNc3cccnc3)CC2)cc1
InChIInChI=1S/C17H21N3/c1-2-5-15(6-3-1)13-20-17(8-9-17)10-12-19-16-7-4-11-18-14-16/h1-7,11,14,19-20H,8-10,12-13H2
InChIKeyCFZJELLGXVRPOL-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.21
Rot. Bonds7

About N-[2-[1-(benzylamino)cyclopropyl]ethyl]pyridin-3-amine

N-[2-[1-(benzylamino)cyclopropyl]ethyl]pyridin-3-amine (PubChem CID 91068579) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is N-[2-[1-(benzylamino)cyclopropyl]ethyl]pyridin-3-amine.

Molecular Properties

Compound NameN-[2-[1-(benzylamino)cyclopropyl]ethyl]pyridin-3-amine
PubChem CID91068579
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC NameN-[2-[1-(benzylamino)cyclopropyl]ethyl]pyridin-3-amine
SMILESc1ccc(CNC2(CCNc3cccnc3)CC2)cc1
InChIInChI=1S/C17H21N3/c1-2-5-15(6-3-1)13-20-17(8-9-17)10-12-19-16-7-4-11-18-14-16/h1-7,11,14,19-20H,8-10,12-13H2
InChIKeyCFZJELLGXVRPOL-UHFFFAOYSA-N
XLogP3.21
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzylpyridin-3-amine;dihydrochloride
CID 71432393
2-[1-(pyridin-3-ylmethylamino)cyclobutyl]ethanol
CID 115673926
N-benzyl-1-ethylcyclopropan-1-amine
CID 130847049
N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 13304847
1-pentyl-N-(pyridin-3-ylmethyl)cyclobutan-1-amine
CID 70482960
N-[(4-fluorophenyl)methyl]pyridin-3-amine
CID 14720329
1-(pyridin-3-ylmethylamino)cyclohexane-1-carboxylic acid;dihydrochloride
CID 53422261
N-benzyl-2-pyridin-3-ylethanamine
CID 60761296
N-[(2-benzylcyclopropyl)methyl]pyridin-3-amine
CID 173142630
N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-3-amine;dihydrochloride
CID 71432458
1-benzyl-4-(pyridin-3-ylmethylamino)piperidine-4-carboxylic acid
CID 71564992
N-phenylmethoxypyridin-3-amine;dihydrochloride
CID 141050339

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(benzylamino)cyclopropyl]ethyl]pyridin-3-amine?
The IUPAC name of N-[2-[1-(benzylamino)cyclopropyl]ethyl]pyridin-3-amine (CID 91068579) is N-[2-[1-(benzylamino)cyclopropyl]ethyl]pyridin-3-amine.
What is the SMILES notation for N-[2-[1-(benzylamino)cyclopropyl]ethyl]pyridin-3-amine?
The canonical SMILES for N-[2-[1-(benzylamino)cyclopropyl]ethyl]pyridin-3-amine is c1ccc(CNC2(CCNc3cccnc3)CC2)cc1.
What is the InChIKey of N-[2-[1-(benzylamino)cyclopropyl]ethyl]pyridin-3-amine?
The InChIKey is CFZJELLGXVRPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-2-5-15(6-3-1)13-20-17(8-9-17)10-12-19-16-7-4-11-18-14-16/h1-7,11,14,19-20H,8-10,12-13H2.
What are the key properties of N-[2-[1-(benzylamino)cyclopropyl]ethyl]pyridin-3-amine?
N-[2-[1-(benzylamino)cyclopropyl]ethyl]pyridin-3-amine has a molecular weight of 267.38 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(benzylamino)cyclopropyl]ethyl]pyridin-3-amine is sourced from PubChem (CID 91068579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).