1-[amino(pyridin-2-yl)methyl]cyclopropan-1-amine

C9H13N3 — CID 116947111

IUPAC1-[amino(pyridin-2-yl)methyl]cyclopropan-1-amine
SMILESNC(c1ccccn1)C1(N)CC1
InChIInChI=1S/C9H13N3/c10-8(9(11)4-5-9)7-3-1-2-6-12-7/h1-3,6,8H,4-5,10-11H2
InChIKeyLHKBDLUARQCDPL-UHFFFAOYSA-N
MW163.22 g/mol
LogP0.57
Rot. Bonds2

About 1-[amino(pyridin-2-yl)methyl]cyclopropan-1-amine

1-[amino(pyridin-2-yl)methyl]cyclopropan-1-amine (PubChem CID 116947111) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 1-[amino(pyridin-2-yl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[amino(pyridin-2-yl)methyl]cyclopropan-1-amine
PubChem CID116947111
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name1-[amino(pyridin-2-yl)methyl]cyclopropan-1-amine
SMILESNC(c1ccccn1)C1(N)CC1
InChIInChI=1S/C9H13N3/c10-8(9(11)4-5-9)7-3-1-2-6-12-7/h1-3,6,8H,4-5,10-11H2
InChIKeyLHKBDLUARQCDPL-UHFFFAOYSA-N
XLogP0.57
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[amino(pyridin-2-yl)methyl]cyclobutyl]methanol
CID 116944252
chloro(pyridin-2-yl)methanamine
CID 22075524
2-(dipyridin-2-ylmethyl)pyridine
CID 10332212
(3R)-3-pyridin-2-ylbutan-2-amine
CID 140704268
(1R,2S)-1-pyridin-2-ylpropane-1,2-diamine
CID 131142947
ethane;2-methylpropane;2-propan-2-ylpyridine
CID 160963174
4-chloro-3-pyridin-2-ylbutan-1-amine
CID 152778918
2-amino-2-pyridin-2-ylethanethial
CID 87216139
2,2,2-trifluoro-1-pyridin-2-ylethanamine
CID 25219911
N-methylmethanamine;1-pyridin-2-ylethanamine
CID 143812006
(1R)-2-methyl-1-pyridin-2-ylpropan-1-amine;dihydrochloride
CID 86767543
(2S)-2-amino-2-pyridin-2-ylethanol
CID 55278064

Frequently Asked Questions

What is the IUPAC name of 1-[amino(pyridin-2-yl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[amino(pyridin-2-yl)methyl]cyclopropan-1-amine (CID 116947111) is 1-[amino(pyridin-2-yl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[amino(pyridin-2-yl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[amino(pyridin-2-yl)methyl]cyclopropan-1-amine is NC(c1ccccn1)C1(N)CC1.
What is the InChIKey of 1-[amino(pyridin-2-yl)methyl]cyclopropan-1-amine?
The InChIKey is LHKBDLUARQCDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c10-8(9(11)4-5-9)7-3-1-2-6-12-7/h1-3,6,8H,4-5,10-11H2.
What are the key properties of 1-[amino(pyridin-2-yl)methyl]cyclopropan-1-amine?
1-[amino(pyridin-2-yl)methyl]cyclopropan-1-amine has a molecular weight of 163.22 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino(pyridin-2-yl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 116947111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).