3-[[[(1S)-2-phenylcyclopropyl]amino]methyl]pyridin-2-amine

C15H17N3 — CID 58035577

IUPAC3-[[[(1S)-2-phenylcyclopropyl]amino]methyl]pyridin-2-amine
SMILESNc1ncccc1CN[C@H]1CC1c1ccccc1
InChIInChI=1S/C15H17N3/c16-15-12(7-4-8-17-15)10-18-14-9-13(14)11-5-2-1-3-6-11/h1-8,13-14,18H,9-10H2,(H2,16,17)/t13?,14-/m0/s1
InChIKeyABZIBKADQGGRHA-KZUDCZAMSA-N
MW239.32 g/mol
LogP2.31
Rot. Bonds4

About 3-[[[(1S)-2-phenylcyclopropyl]amino]methyl]pyridin-2-amine

3-[[[(1S)-2-phenylcyclopropyl]amino]methyl]pyridin-2-amine (PubChem CID 58035577) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-[[[(1S)-2-phenylcyclopropyl]amino]methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[[[(1S)-2-phenylcyclopropyl]amino]methyl]pyridin-2-amine
PubChem CID58035577
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name3-[[[(1S)-2-phenylcyclopropyl]amino]methyl]pyridin-2-amine
SMILESNc1ncccc1CN[C@H]1CC1c1ccccc1
InChIInChI=1S/C15H17N3/c16-15-12(7-4-8-17-15)10-18-14-9-13(14)11-5-2-1-3-6-11/h1-8,13-14,18H,9-10H2,(H2,16,17)/t13?,14-/m0/s1
InChIKeyABZIBKADQGGRHA-KZUDCZAMSA-N
XLogP2.31
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[[(1S)-2-phenylcyclopropyl]amino]methyl]pyridin-2-amine?
The IUPAC name of 3-[[[(1S)-2-phenylcyclopropyl]amino]methyl]pyridin-2-amine (CID 58035577) is 3-[[[(1S)-2-phenylcyclopropyl]amino]methyl]pyridin-2-amine.
What is the SMILES notation for 3-[[[(1S)-2-phenylcyclopropyl]amino]methyl]pyridin-2-amine?
The canonical SMILES for 3-[[[(1S)-2-phenylcyclopropyl]amino]methyl]pyridin-2-amine is Nc1ncccc1CN[C@H]1CC1c1ccccc1.
What is the InChIKey of 3-[[[(1S)-2-phenylcyclopropyl]amino]methyl]pyridin-2-amine?
The InChIKey is ABZIBKADQGGRHA-KZUDCZAMSA-N. The full InChI is InChI=1S/C15H17N3/c16-15-12(7-4-8-17-15)10-18-14-9-13(14)11-5-2-1-3-6-11/h1-8,13-14,18H,9-10H2,(H2,16,17)/t13?,14-/m0/s1.
What are the key properties of 3-[[[(1S)-2-phenylcyclopropyl]amino]methyl]pyridin-2-amine?
3-[[[(1S)-2-phenylcyclopropyl]amino]methyl]pyridin-2-amine has a molecular weight of 239.32 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[(1S)-2-phenylcyclopropyl]amino]methyl]pyridin-2-amine is sourced from PubChem (CID 58035577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).