N-[(1S)-1-pyridin-3-ylethyl]azetidin-3-amine

C10H15N3 — CID 81406806

IUPACN-[(1S)-1-pyridin-3-ylethyl]azetidin-3-amine
SMILESC[C@H](NC1CNC1)c1cccnc1
InChIInChI=1S/C10H15N3/c1-8(13-10-6-12-7-10)9-3-2-4-11-5-9/h2-5,8,10,12-13H,6-7H2,1H3/t8-/m0/s1
InChIKeyCSVSIIBFPMDZRG-QMMMGPOBSA-N
MW177.25 g/mol
LogP0.70
Rot. Bonds3

About N-[(1S)-1-pyridin-3-ylethyl]azetidin-3-amine

N-[(1S)-1-pyridin-3-ylethyl]azetidin-3-amine (PubChem CID 81406806) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is N-[(1S)-1-pyridin-3-ylethyl]azetidin-3-amine.

Molecular Properties

Compound NameN-[(1S)-1-pyridin-3-ylethyl]azetidin-3-amine
PubChem CID81406806
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC NameN-[(1S)-1-pyridin-3-ylethyl]azetidin-3-amine
SMILESC[C@H](NC1CNC1)c1cccnc1
InChIInChI=1S/C10H15N3/c1-8(13-10-6-12-7-10)9-3-2-4-11-5-9/h2-5,8,10,12-13H,6-7H2,1H3/t8-/m0/s1
InChIKeyCSVSIIBFPMDZRG-QMMMGPOBSA-N
XLogP0.70
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-pyridin-3-ylethyl)pyrrolidin-3-amine
CID 79724749
N-[(1S)-1-pyridin-3-ylethyl]cyclopropanamine
CID 26385082
N-[(1S)-1-pyridin-3-ylethyl]cycloheptanamine
CID 28646604
N-(1-pyridin-3-ylethyl)cyclododecanamine
CID 43079395
1-propan-2-yl-N-[(1S)-1-pyridin-3-ylethyl]piperidin-4-amine
CID 28716728
1-[4-[[(1S)-1-pyridin-3-ylethyl]amino]piperidin-1-yl]ethanone
CID 78950814
3-N-[(1S)-1-pyridin-3-ylethyl]cyclopentane-1,3-diamine
CID 81406551
1,1-dioxo-N-[(1R)-1-pyridin-3-ylethyl]thian-4-amine
CID 81404409
1,1-dioxo-N-[(1S)-1-pyridin-3-ylethyl]thian-4-amine
CID 81406804
2-(azetidin-3-ylamino)-2-pyridin-3-ylacetonitrile
CID 121209893
N-(1-pyridin-3-ylethyl)-1-pyrimidin-2-ylpiperidin-4-amine
CID 43675618
1-pyridin-4-yl-N-(1-pyridin-3-ylethyl)piperidin-4-amine
CID 43343785

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-pyridin-3-ylethyl]azetidin-3-amine?
The IUPAC name of N-[(1S)-1-pyridin-3-ylethyl]azetidin-3-amine (CID 81406806) is N-[(1S)-1-pyridin-3-ylethyl]azetidin-3-amine.
What is the SMILES notation for N-[(1S)-1-pyridin-3-ylethyl]azetidin-3-amine?
The canonical SMILES for N-[(1S)-1-pyridin-3-ylethyl]azetidin-3-amine is C[C@H](NC1CNC1)c1cccnc1.
What is the InChIKey of N-[(1S)-1-pyridin-3-ylethyl]azetidin-3-amine?
The InChIKey is CSVSIIBFPMDZRG-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H15N3/c1-8(13-10-6-12-7-10)9-3-2-4-11-5-9/h2-5,8,10,12-13H,6-7H2,1H3/t8-/m0/s1.
What are the key properties of N-[(1S)-1-pyridin-3-ylethyl]azetidin-3-amine?
N-[(1S)-1-pyridin-3-ylethyl]azetidin-3-amine has a molecular weight of 177.25 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-pyridin-3-ylethyl]azetidin-3-amine is sourced from PubChem (CID 81406806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).