2-[1-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]cyclopropyl]acetonitrile

C13H17N3 — CID 81401842

IUPAC2-[1-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]cyclopropyl]acetonitrile
SMILESC[C@H](NCC1(CC#N)CC1)c1ccccn1
InChIInChI=1S/C13H17N3/c1-11(12-4-2-3-9-15-12)16-10-13(5-6-13)7-8-14/h2-4,9,11,16H,5-7,10H2,1H3/t11-/m0/s1
InChIKeyMZXZNDUKBKRPFH-NSHDSACASA-N
MW215.30 g/mol
LogP2.43
Rot. Bonds5

About 2-[1-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]cyclopropyl]acetonitrile

2-[1-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]cyclopropyl]acetonitrile (PubChem CID 81401842) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-[1-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]cyclopropyl]acetonitrile
PubChem CID81401842
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name2-[1-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]cyclopropyl]acetonitrile
SMILESC[C@H](NCC1(CC#N)CC1)c1ccccn1
InChIInChI=1S/C13H17N3/c1-11(12-4-2-3-9-15-12)16-10-13(5-6-13)7-8-14/h2-4,9,11,16H,5-7,10H2,1H3/t11-/m0/s1
InChIKeyMZXZNDUKBKRPFH-NSHDSACASA-N
XLogP2.43
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1R)-1-pyridin-2-ylethyl]amino]acetonitrile
CID 81407753
2-[1-[(1-pyridin-4-ylethylamino)methyl]cyclopropyl]acetonitrile
CID 65480567
1-[(1-pyridin-2-ylethylamino)methyl]cyclohexan-1-ol
CID 60909596
1-[[[(1R)-1-pyridin-2-ylethyl]amino]methyl]cycloheptan-1-ol
CID 81407673
2-[1-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]cyclopropyl]acetonitrile
CID 81365372
N-(cyclopropylmethyl)-1-pyridin-2-ylethanamine
CID 21278980
N-[(1S)-1-pyridin-2-ylethyl]but-2-yn-1-amine
CID 81402313
[(1S)-1-pyridin-2-ylethyl]cyanamide
CID 81401683
4,4-dimethyl-5-[[(1R)-1-pyridin-2-ylethyl]amino]pentanenitrile
CID 113489921
N-(cyclopentylmethyl)-1-pyridin-2-ylethanamine
CID 21279046
2-[[[(1R)-1-pyridin-2-ylethyl]amino]methyl]benzonitrile
CID 93034581
2-[1-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]cyclopropyl]acetonitrile
CID 65497515

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]cyclopropyl]acetonitrile (CID 81401842) is 2-[1-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]cyclopropyl]acetonitrile is C[C@H](NCC1(CC#N)CC1)c1ccccn1.
What is the InChIKey of 2-[1-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]cyclopropyl]acetonitrile?
The InChIKey is MZXZNDUKBKRPFH-NSHDSACASA-N. The full InChI is InChI=1S/C13H17N3/c1-11(12-4-2-3-9-15-12)16-10-13(5-6-13)7-8-14/h2-4,9,11,16H,5-7,10H2,1H3/t11-/m0/s1.
What are the key properties of 2-[1-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]cyclopropyl]acetonitrile?
2-[1-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]cyclopropyl]acetonitrile has a molecular weight of 215.30 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 81401842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).