cyclopropanecarbaldehyde;N-(cyclopropylmethyl)pyridin-2-amine

C13H18N2O — CID 157157680

IUPACcyclopropanecarbaldehyde;N-(cyclopropylmethyl)pyridin-2-amine
SMILESO=CC1CC1.c1ccc(NCC2CC2)nc1
InChIInChI=1S/C9H12N2.C4H6O/c1-2-6-10-9(3-1)11-7-8-4-5-8;5-3-4-1-2-4/h1-3,6,8H,4-5,7H2,(H,10,11);3-4H,1-2H2
InChIKeyALZVLXAFIPNJPY-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.50
Rot. Bonds4

About cyclopropanecarbaldehyde;N-(cyclopropylmethyl)pyridin-2-amine

cyclopropanecarbaldehyde;N-(cyclopropylmethyl)pyridin-2-amine (PubChem CID 157157680) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is cyclopropanecarbaldehyde;N-(cyclopropylmethyl)pyridin-2-amine.

Molecular Properties

Compound Namecyclopropanecarbaldehyde;N-(cyclopropylmethyl)pyridin-2-amine
PubChem CID157157680
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Namecyclopropanecarbaldehyde;N-(cyclopropylmethyl)pyridin-2-amine
SMILESO=CC1CC1.c1ccc(NCC2CC2)nc1
InChIInChI=1S/C9H12N2.C4H6O/c1-2-6-10-9(3-1)11-7-8-4-5-8;5-3-4-1-2-4/h1-3,6,8H,4-5,7H2,(H,10,11);3-4H,1-2H2
InChIKeyALZVLXAFIPNJPY-UHFFFAOYSA-N
XLogP2.50
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(methylamino)cyclohexyl]methyl]pyridin-2-amine
CID 115213588
N-(piperidin-4-ylmethyl)pyridin-2-amine;trihydrochloride
CID 162422883
N-[(1,1-dioxothiolan-2-yl)methyl]pyridin-2-amine
CID 81040808
N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridin-2-amine
CID 61012196
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridin-2-amine
CID 61209300
6-(cyclohexylmethylamino)pyridine-3-carbaldehyde
CID 89101111
cyclopropane;N-pyridin-2-ylformamide
CID 170968327
N-[[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine
CID 124595693
N-[[(3R)-1-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine
CID 95137123
N-[(3,5-dimethylpyrazolidin-4-yl)methyl]pyridin-2-amine
CID 133269613
N-(3-cyanothiophen-2-yl)-2-[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]acetamide
CID 86773779
N'-pyridin-2-ylmethanediamine
CID 115225472

Frequently Asked Questions

What is the IUPAC name of cyclopropanecarbaldehyde;N-(cyclopropylmethyl)pyridin-2-amine?
The IUPAC name of cyclopropanecarbaldehyde;N-(cyclopropylmethyl)pyridin-2-amine (CID 157157680) is cyclopropanecarbaldehyde;N-(cyclopropylmethyl)pyridin-2-amine.
What is the SMILES notation for cyclopropanecarbaldehyde;N-(cyclopropylmethyl)pyridin-2-amine?
The canonical SMILES for cyclopropanecarbaldehyde;N-(cyclopropylmethyl)pyridin-2-amine is O=CC1CC1.c1ccc(NCC2CC2)nc1.
What is the InChIKey of cyclopropanecarbaldehyde;N-(cyclopropylmethyl)pyridin-2-amine?
The InChIKey is ALZVLXAFIPNJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2.C4H6O/c1-2-6-10-9(3-1)11-7-8-4-5-8;5-3-4-1-2-4/h1-3,6,8H,4-5,7H2,(H,10,11);3-4H,1-2H2.
What are the key properties of cyclopropanecarbaldehyde;N-(cyclopropylmethyl)pyridin-2-amine?
cyclopropanecarbaldehyde;N-(cyclopropylmethyl)pyridin-2-amine has a molecular weight of 218.30 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropanecarbaldehyde;N-(cyclopropylmethyl)pyridin-2-amine is sourced from PubChem (CID 157157680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).