N-cyclopentyl-N-ethyl-2-methyl-5-[(2-methylpropylamino)methyl]pyridin-4-amine

C18H31N3 — CID 81249270

IUPACN-cyclopentyl-N-ethyl-2-methyl-5-[(2-methylpropylamino)methyl]pyridin-4-amine
SMILESCCN(c1cc(C)ncc1CNCC(C)C)C1CCCC1
InChIInChI=1S/C18H31N3/c1-5-21(17-8-6-7-9-17)18-10-15(4)20-13-16(18)12-19-11-14(2)3/h10,13-14,17,19H,5-9,11-12H2,1-4H3
InChIKeyGEVNWMKMEWIDLJ-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.90
Rot. Bonds7

About N-cyclopentyl-N-ethyl-2-methyl-5-[(2-methylpropylamino)methyl]pyridin-4-amine

N-cyclopentyl-N-ethyl-2-methyl-5-[(2-methylpropylamino)methyl]pyridin-4-amine (PubChem CID 81249270) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N-cyclopentyl-N-ethyl-2-methyl-5-[(2-methylpropylamino)methyl]pyridin-4-amine.

Molecular Properties

Compound NameN-cyclopentyl-N-ethyl-2-methyl-5-[(2-methylpropylamino)methyl]pyridin-4-amine
PubChem CID81249270
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN-cyclopentyl-N-ethyl-2-methyl-5-[(2-methylpropylamino)methyl]pyridin-4-amine
SMILESCCN(c1cc(C)ncc1CNCC(C)C)C1CCCC1
InChIInChI=1S/C18H31N3/c1-5-21(17-8-6-7-9-17)18-10-15(4)20-13-16(18)12-19-11-14(2)3/h10,13-14,17,19H,5-9,11-12H2,1-4H3
InChIKeyGEVNWMKMEWIDLJ-UHFFFAOYSA-N
XLogP3.90
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-(cyclopropylmethyl)-2-methyl-5-[(2-methylpropylamino)methyl]pyridin-4-amine
CID 81254130
N-cyclopentyl-N-ethyl-4-fluoro-2-[(2-methylpropylamino)methyl]aniline
CID 63550591
N-cyclopropyl-2-methyl-5-(methylaminomethyl)-N-(2-methylpropyl)pyridin-4-amine
CID 81246744
N,2-dimethyl-5-[(2-methylpropylamino)methyl]-N-(oxolan-2-ylmethyl)pyridin-4-amine
CID 81249404
N-cyclopropyl-N-ethyl-4-fluoro-2-[(2-methylpropylamino)methyl]aniline
CID 63060362
N-cyclopropyl-N-(cyclopropylmethyl)-2-methyl-5-(propylaminomethyl)pyridin-4-amine
CID 81248139
5-chloro-N-cyclopropyl-N-ethyl-4-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 114925446
N-(cyclobutylmethyl)-N-ethyl-5-(ethylaminomethyl)-2-methylpyridin-4-amine
CID 107401789
N-cyclopropyl-N-(2-methoxyethyl)-2-methyl-5-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81246152
N-cyclopropyl-N-ethyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-amine
CID 113388029
5-(aminomethyl)-N-cyclopropyl-2-methyl-N-(2-methylpropyl)pyridin-4-amine
CID 81246878
N-(cyclobutylmethyl)-5-(ethylaminomethyl)-N,2-dimethylpyridin-4-amine
CID 81247485

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-ethyl-2-methyl-5-[(2-methylpropylamino)methyl]pyridin-4-amine?
The IUPAC name of N-cyclopentyl-N-ethyl-2-methyl-5-[(2-methylpropylamino)methyl]pyridin-4-amine (CID 81249270) is N-cyclopentyl-N-ethyl-2-methyl-5-[(2-methylpropylamino)methyl]pyridin-4-amine.
What is the SMILES notation for N-cyclopentyl-N-ethyl-2-methyl-5-[(2-methylpropylamino)methyl]pyridin-4-amine?
The canonical SMILES for N-cyclopentyl-N-ethyl-2-methyl-5-[(2-methylpropylamino)methyl]pyridin-4-amine is CCN(c1cc(C)ncc1CNCC(C)C)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-ethyl-2-methyl-5-[(2-methylpropylamino)methyl]pyridin-4-amine?
The InChIKey is GEVNWMKMEWIDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-5-21(17-8-6-7-9-17)18-10-15(4)20-13-16(18)12-19-11-14(2)3/h10,13-14,17,19H,5-9,11-12H2,1-4H3.
What are the key properties of N-cyclopentyl-N-ethyl-2-methyl-5-[(2-methylpropylamino)methyl]pyridin-4-amine?
N-cyclopentyl-N-ethyl-2-methyl-5-[(2-methylpropylamino)methyl]pyridin-4-amine has a molecular weight of 289.47 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-ethyl-2-methyl-5-[(2-methylpropylamino)methyl]pyridin-4-amine is sourced from PubChem (CID 81249270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).