2-[(cyclopropylamino)methyl]-N-ethyl-N-(2-ethylbutyl)pyridin-4-amine

C17H29N3 — CID 62293189

IUPAC2-[(cyclopropylamino)methyl]-N-ethyl-N-(2-ethylbutyl)pyridin-4-amine
SMILESCCC(CC)CN(CC)c1ccnc(CNC2CC2)c1
InChIInChI=1S/C17H29N3/c1-4-14(5-2)13-20(6-3)17-9-10-18-16(11-17)12-19-15-7-8-15/h9-11,14-15,19H,4-8,12-13H2,1-3H3
InChIKeyZTAWLWUKCNYJTO-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.60
Rot. Bonds9

About 2-[(cyclopropylamino)methyl]-N-ethyl-N-(2-ethylbutyl)pyridin-4-amine

2-[(cyclopropylamino)methyl]-N-ethyl-N-(2-ethylbutyl)pyridin-4-amine (PubChem CID 62293189) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-[(cyclopropylamino)methyl]-N-ethyl-N-(2-ethylbutyl)pyridin-4-amine.

Molecular Properties

Compound Name2-[(cyclopropylamino)methyl]-N-ethyl-N-(2-ethylbutyl)pyridin-4-amine
PubChem CID62293189
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name2-[(cyclopropylamino)methyl]-N-ethyl-N-(2-ethylbutyl)pyridin-4-amine
SMILESCCC(CC)CN(CC)c1ccnc(CNC2CC2)c1
InChIInChI=1S/C17H29N3/c1-4-14(5-2)13-20(6-3)17-9-10-18-16(11-17)12-19-15-7-8-15/h9-11,14-15,19H,4-8,12-13H2,1-3H3
InChIKeyZTAWLWUKCNYJTO-UHFFFAOYSA-N
XLogP3.60
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(tert-butylamino)methyl]-N-ethyl-N-(2-ethylbutyl)pyridin-4-amine
CID 63488590
2-[(cyclopropylamino)methyl]-N-(4-ethylcyclohexyl)-N-methylpyridin-4-amine
CID 62288523
2-[(cyclopropylamino)methyl]-N-(3,5-dimethylphenyl)-N-methylpyridin-4-amine
CID 62293645
5-[(cyclopropylamino)methyl]-N-ethyl-N-(2-ethylbutyl)-1,3-thiazol-2-amine
CID 62755153
5-bromo-3-[(cyclopropylamino)methyl]-N-ethyl-N-(2-ethylbutyl)pyridin-2-amine
CID 63489111
N-ethyl-N-(2-methylpropyl)-2-(propylaminomethyl)pyridin-4-amine
CID 55055011
N-[[4-(4-propan-2-ylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 103503016
N-(cyclopropylmethyl)-N-ethyl-2-[(2-methylpropylamino)methyl]pyridin-4-amine
CID 63940070
N-[[4-(4-ethoxyphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62297962
N-[[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-pyridinyl]methyl]cyclopropanamine
CID 102723120
N-[(5-bromothiophen-3-yl)methyl]-2-[(cyclopropylamino)methyl]-N-methylpyridin-4-amine
CID 62287412
N-[[4-(3,4-dimethylpyrrolidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 79184228

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopropylamino)methyl]-N-ethyl-N-(2-ethylbutyl)pyridin-4-amine?
The IUPAC name of 2-[(cyclopropylamino)methyl]-N-ethyl-N-(2-ethylbutyl)pyridin-4-amine (CID 62293189) is 2-[(cyclopropylamino)methyl]-N-ethyl-N-(2-ethylbutyl)pyridin-4-amine.
What is the SMILES notation for 2-[(cyclopropylamino)methyl]-N-ethyl-N-(2-ethylbutyl)pyridin-4-amine?
The canonical SMILES for 2-[(cyclopropylamino)methyl]-N-ethyl-N-(2-ethylbutyl)pyridin-4-amine is CCC(CC)CN(CC)c1ccnc(CNC2CC2)c1.
What is the InChIKey of 2-[(cyclopropylamino)methyl]-N-ethyl-N-(2-ethylbutyl)pyridin-4-amine?
The InChIKey is ZTAWLWUKCNYJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-4-14(5-2)13-20(6-3)17-9-10-18-16(11-17)12-19-15-7-8-15/h9-11,14-15,19H,4-8,12-13H2,1-3H3.
What are the key properties of 2-[(cyclopropylamino)methyl]-N-ethyl-N-(2-ethylbutyl)pyridin-4-amine?
2-[(cyclopropylamino)methyl]-N-ethyl-N-(2-ethylbutyl)pyridin-4-amine has a molecular weight of 275.44 g/mol, XLogP of 3.60, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopropylamino)methyl]-N-ethyl-N-(2-ethylbutyl)pyridin-4-amine is sourced from PubChem (CID 62293189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).