3-[(cyclopropylamino)methyl]-N-ethyl-N-(2-methylprop-2-enyl)pyridin-2-amine

C15H23N3 — CID 62280348

IUPAC3-[(cyclopropylamino)methyl]-N-ethyl-N-(2-methylprop-2-enyl)pyridin-2-amine
SMILESC=C(C)CN(CC)c1ncccc1CNC1CC1
InChIInChI=1S/C15H23N3/c1-4-18(11-12(2)3)15-13(6-5-9-16-15)10-17-14-7-8-14/h5-6,9,14,17H,2,4,7-8,10-11H2,1,3H3
InChIKeyXBXKAIARJWWSDS-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.74
Rot. Bonds7

About 3-[(cyclopropylamino)methyl]-N-ethyl-N-(2-methylprop-2-enyl)pyridin-2-amine

3-[(cyclopropylamino)methyl]-N-ethyl-N-(2-methylprop-2-enyl)pyridin-2-amine (PubChem CID 62280348) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 3-[(cyclopropylamino)methyl]-N-ethyl-N-(2-methylprop-2-enyl)pyridin-2-amine.

Molecular Properties

Compound Name3-[(cyclopropylamino)methyl]-N-ethyl-N-(2-methylprop-2-enyl)pyridin-2-amine
PubChem CID62280348
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name3-[(cyclopropylamino)methyl]-N-ethyl-N-(2-methylprop-2-enyl)pyridin-2-amine
SMILESC=C(C)CN(CC)c1ncccc1CNC1CC1
InChIInChI=1S/C15H23N3/c1-4-18(11-12(2)3)15-13(6-5-9-16-15)10-17-14-7-8-14/h5-6,9,14,17H,2,4,7-8,10-11H2,1,3H3
InChIKeyXBXKAIARJWWSDS-UHFFFAOYSA-N
XLogP2.74
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.74
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-(cyclobutylmethyl)-3-[(cyclopropylamino)methyl]-N-ethylpyridin-2-amine
CID 107401850
3-[(cyclopropylamino)methyl]-N,N-bis(2-methylpropyl)pyridin-2-amine
CID 62283336
3-[(cyclopropylamino)methyl]-N-methyl-N-propan-2-ylpyridin-2-amine
CID 62284786
3-[(cyclopropylamino)methyl]-N-ethyl-4,6-dimethyl-N-(2-methylprop-2-enyl)pyridin-2-amine
CID 62279990
3-[(cyclopropylamino)methyl]-N-(4-ethylcyclohexyl)-N-methylpyridin-2-amine
CID 62287807
3-[(tert-butylamino)methyl]-N,N-diethylpyridin-2-amine
CID 62285753
N,N-dimethyl-3-[(oxan-4-ylamino)methyl]pyridin-2-amine
CID 29153314
N-cyclopropyl-3-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)pyridin-2-amine
CID 62295318
3-[(cyclopropylamino)methyl]-N-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 62280283
N-[(2-methoxy-3-pyridinyl)methyl]cyclopropanamine
CID 62292464
N-[[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]cyclopropanamine
CID 114471447
N,N-dimethyl-3-[(thiolan-3-ylamino)methyl]pyridin-2-amine
CID 115709441

Frequently Asked Questions

What is the IUPAC name of 3-[(cyclopropylamino)methyl]-N-ethyl-N-(2-methylprop-2-enyl)pyridin-2-amine?
The IUPAC name of 3-[(cyclopropylamino)methyl]-N-ethyl-N-(2-methylprop-2-enyl)pyridin-2-amine (CID 62280348) is 3-[(cyclopropylamino)methyl]-N-ethyl-N-(2-methylprop-2-enyl)pyridin-2-amine.
What is the SMILES notation for 3-[(cyclopropylamino)methyl]-N-ethyl-N-(2-methylprop-2-enyl)pyridin-2-amine?
The canonical SMILES for 3-[(cyclopropylamino)methyl]-N-ethyl-N-(2-methylprop-2-enyl)pyridin-2-amine is C=C(C)CN(CC)c1ncccc1CNC1CC1.
What is the InChIKey of 3-[(cyclopropylamino)methyl]-N-ethyl-N-(2-methylprop-2-enyl)pyridin-2-amine?
The InChIKey is XBXKAIARJWWSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-4-18(11-12(2)3)15-13(6-5-9-16-15)10-17-14-7-8-14/h5-6,9,14,17H,2,4,7-8,10-11H2,1,3H3.
What are the key properties of 3-[(cyclopropylamino)methyl]-N-ethyl-N-(2-methylprop-2-enyl)pyridin-2-amine?
3-[(cyclopropylamino)methyl]-N-ethyl-N-(2-methylprop-2-enyl)pyridin-2-amine has a molecular weight of 245.37 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclopropylamino)methyl]-N-ethyl-N-(2-methylprop-2-enyl)pyridin-2-amine is sourced from PubChem (CID 62280348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).