3-[(cyclopropylamino)methyl]-N,N-bis(prop-2-enyl)pyridin-4-amine

C15H21N3 — CID 81250020

IUPAC3-[(cyclopropylamino)methyl]-N,N-bis(prop-2-enyl)pyridin-4-amine
SMILESC=CCN(CC=C)c1ccncc1CNC1CC1
InChIInChI=1S/C15H21N3/c1-3-9-18(10-4-2)15-7-8-16-11-13(15)12-17-14-5-6-14/h3-4,7-8,11,14,17H,1-2,5-6,9-10,12H2
InChIKeyKGICXTUYLOVENZ-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.51
Rot. Bonds8

About 3-[(cyclopropylamino)methyl]-N,N-bis(prop-2-enyl)pyridin-4-amine

3-[(cyclopropylamino)methyl]-N,N-bis(prop-2-enyl)pyridin-4-amine (PubChem CID 81250020) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-[(cyclopropylamino)methyl]-N,N-bis(prop-2-enyl)pyridin-4-amine.

Molecular Properties

Compound Name3-[(cyclopropylamino)methyl]-N,N-bis(prop-2-enyl)pyridin-4-amine
PubChem CID81250020
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name3-[(cyclopropylamino)methyl]-N,N-bis(prop-2-enyl)pyridin-4-amine
SMILESC=CCN(CC=C)c1ccncc1CNC1CC1
InChIInChI=1S/C15H21N3/c1-3-9-18(10-4-2)15-7-8-16-11-13(15)12-17-14-5-6-14/h3-4,7-8,11,14,17H,1-2,5-6,9-10,12H2
InChIKeyKGICXTUYLOVENZ-UHFFFAOYSA-N
XLogP2.51
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N,3-tris(prop-2-enyl)pyridin-4-amine
CID 173102385
3-[(cyclopropylamino)methyl]-N-ethyl-N-propan-2-ylpyridin-4-amine
CID 81249309
N'-[3-[(cyclopropylamino)methyl]-4-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 81246080
3-[(cyclopropylamino)methyl]-N-ethyl-N-(2-methylbutyl)pyridin-4-amine
CID 81247877
N'-[3-[(cyclopropylamino)methyl]-4-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine
CID 81248054
N-[(3-prop-2-enoxy-4-pyridinyl)methyl]cyclopropanamine
CID 105074850
3-[(cyclopropylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-4-amine
CID 81246500
3-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridin-4-amine
CID 82953192
N-cyclopropyl-3-[(cyclopropylamino)methyl]-N-(2-methylpropyl)pyridin-4-amine
CID 81246811
3-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-4-amine
CID 81249862
3-[(cyclopropylamino)methyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-4-amine
CID 112665329
3-[(cyclopropylamino)methyl]-N-[(2-fluorophenyl)methyl]-N-methylpyridin-4-amine
CID 81249517

Frequently Asked Questions

What is the IUPAC name of 3-[(cyclopropylamino)methyl]-N,N-bis(prop-2-enyl)pyridin-4-amine?
The IUPAC name of 3-[(cyclopropylamino)methyl]-N,N-bis(prop-2-enyl)pyridin-4-amine (CID 81250020) is 3-[(cyclopropylamino)methyl]-N,N-bis(prop-2-enyl)pyridin-4-amine.
What is the SMILES notation for 3-[(cyclopropylamino)methyl]-N,N-bis(prop-2-enyl)pyridin-4-amine?
The canonical SMILES for 3-[(cyclopropylamino)methyl]-N,N-bis(prop-2-enyl)pyridin-4-amine is C=CCN(CC=C)c1ccncc1CNC1CC1.
What is the InChIKey of 3-[(cyclopropylamino)methyl]-N,N-bis(prop-2-enyl)pyridin-4-amine?
The InChIKey is KGICXTUYLOVENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-3-9-18(10-4-2)15-7-8-16-11-13(15)12-17-14-5-6-14/h3-4,7-8,11,14,17H,1-2,5-6,9-10,12H2.
What are the key properties of 3-[(cyclopropylamino)methyl]-N,N-bis(prop-2-enyl)pyridin-4-amine?
3-[(cyclopropylamino)methyl]-N,N-bis(prop-2-enyl)pyridin-4-amine has a molecular weight of 243.35 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclopropylamino)methyl]-N,N-bis(prop-2-enyl)pyridin-4-amine is sourced from PubChem (CID 81250020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).