3-[(cyclopropylamino)methyl]-N-ethyl-N-propan-2-ylpyridin-4-amine

C14H23N3 — CID 81249309

IUPAC3-[(cyclopropylamino)methyl]-N-ethyl-N-propan-2-ylpyridin-4-amine
SMILESCCN(c1ccncc1CNC1CC1)C(C)C
InChIInChI=1S/C14H23N3/c1-4-17(11(2)3)14-7-8-15-9-12(14)10-16-13-5-6-13/h7-9,11,13,16H,4-6,10H2,1-3H3
InChIKeyPQALDMPNCJBBKD-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.57
Rot. Bonds6

About 3-[(cyclopropylamino)methyl]-N-ethyl-N-propan-2-ylpyridin-4-amine

3-[(cyclopropylamino)methyl]-N-ethyl-N-propan-2-ylpyridin-4-amine (PubChem CID 81249309) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 3-[(cyclopropylamino)methyl]-N-ethyl-N-propan-2-ylpyridin-4-amine.

Molecular Properties

Compound Name3-[(cyclopropylamino)methyl]-N-ethyl-N-propan-2-ylpyridin-4-amine
PubChem CID81249309
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name3-[(cyclopropylamino)methyl]-N-ethyl-N-propan-2-ylpyridin-4-amine
SMILESCCN(c1ccncc1CNC1CC1)C(C)C
InChIInChI=1S/C14H23N3/c1-4-17(11(2)3)14-7-8-15-9-12(14)10-16-13-5-6-13/h7-9,11,13,16H,4-6,10H2,1-3H3
InChIKeyPQALDMPNCJBBKD-UHFFFAOYSA-N
XLogP2.57
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridin-4-amine
CID 82953192
3-[(cyclopropylamino)methyl]-N-ethyl-N-(2-methylbutyl)pyridin-4-amine
CID 81247877
N-cyclopropyl-3-[(cyclopropylamino)methyl]-N-(2-methylpropyl)pyridin-4-amine
CID 81246811
N'-[3-[(cyclopropylamino)methyl]-4-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 81246080
3-[(cyclopropylamino)methyl]-N,N-bis(prop-2-enyl)pyridin-4-amine
CID 81250020
N'-[3-[(cyclopropylamino)methyl]-4-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine
CID 81248054
3-[(cyclopropylamino)methyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-4-amine
CID 112665329
3-[(cyclopropylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-4-amine
CID 81246500
3-[(cyclopropylamino)methyl]-N-[(2-fluorophenyl)methyl]-N-methylpyridin-4-amine
CID 81249517
4-[(cyclopropylamino)methyl]-N-methyl-N-pentan-3-ylpyridin-3-amine
CID 105072999
3-(methylaminomethyl)-N-(2-methylpropyl)-N-propan-2-ylpyridin-4-amine
CID 81246316
3-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-4-amine
CID 81249862

Frequently Asked Questions

What is the IUPAC name of 3-[(cyclopropylamino)methyl]-N-ethyl-N-propan-2-ylpyridin-4-amine?
The IUPAC name of 3-[(cyclopropylamino)methyl]-N-ethyl-N-propan-2-ylpyridin-4-amine (CID 81249309) is 3-[(cyclopropylamino)methyl]-N-ethyl-N-propan-2-ylpyridin-4-amine.
What is the SMILES notation for 3-[(cyclopropylamino)methyl]-N-ethyl-N-propan-2-ylpyridin-4-amine?
The canonical SMILES for 3-[(cyclopropylamino)methyl]-N-ethyl-N-propan-2-ylpyridin-4-amine is CCN(c1ccncc1CNC1CC1)C(C)C.
What is the InChIKey of 3-[(cyclopropylamino)methyl]-N-ethyl-N-propan-2-ylpyridin-4-amine?
The InChIKey is PQALDMPNCJBBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-4-17(11(2)3)14-7-8-15-9-12(14)10-16-13-5-6-13/h7-9,11,13,16H,4-6,10H2,1-3H3.
What are the key properties of 3-[(cyclopropylamino)methyl]-N-ethyl-N-propan-2-ylpyridin-4-amine?
3-[(cyclopropylamino)methyl]-N-ethyl-N-propan-2-ylpyridin-4-amine has a molecular weight of 233.36 g/mol, XLogP of 2.57, 6 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-propan-2-ylpyridin-4-amine is sourced from PubChem (CID 81249309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).