4-(aminomethyl)-N-cyclopentyl-3-fluoro-N-(3-methylbutyl)pyridin-2-amine

C16H26FN3 — CID 105390159

IUPAC4-(aminomethyl)-N-cyclopentyl-3-fluoro-N-(3-methylbutyl)pyridin-2-amine
SMILESCC(C)CCN(c1nccc(CN)c1F)C1CCCC1
InChIInChI=1S/C16H26FN3/c1-12(2)8-10-20(14-5-3-4-6-14)16-15(17)13(11-18)7-9-19-16/h7,9,12,14H,3-6,8,10-11,18H2,1-2H3
InChIKeyKNRSAYXDSYVHTJ-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.47
Rot. Bonds6

About 4-(aminomethyl)-N-cyclopentyl-3-fluoro-N-(3-methylbutyl)pyridin-2-amine

4-(aminomethyl)-N-cyclopentyl-3-fluoro-N-(3-methylbutyl)pyridin-2-amine (PubChem CID 105390159) has the molecular formula C16H26FN3 and a molecular weight of 279.40 g/mol. Its IUPAC name is 4-(aminomethyl)-N-cyclopentyl-3-fluoro-N-(3-methylbutyl)pyridin-2-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-cyclopentyl-3-fluoro-N-(3-methylbutyl)pyridin-2-amine
PubChem CID105390159
Molecular FormulaC16H26FN3
Molecular Weight279.40 g/mol
Exact Mass279.21
IUPAC Name4-(aminomethyl)-N-cyclopentyl-3-fluoro-N-(3-methylbutyl)pyridin-2-amine
SMILESCC(C)CCN(c1nccc(CN)c1F)C1CCCC1
InChIInChI=1S/C16H26FN3/c1-12(2)8-10-20(14-5-3-4-6-14)16-15(17)13(11-18)7-9-19-16/h7,9,12,14H,3-6,8,10-11,18H2,1-2H3
InChIKeyKNRSAYXDSYVHTJ-UHFFFAOYSA-N
XLogP3.47
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-cyclopropyl-3-fluoro-N-(3-methylbutyl)pyridin-2-amine
CID 105389659
N-cyclopropyl-3-fluoro-N-(3-methylbutyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 105389656
4-(aminomethyl)-N-butyl-N-cyclopropyl-3-fluoropyridin-2-amine
CID 105389359
3-N-cyclopentyl-3-N-(3-methylbutyl)pyrazine-2,3-diamine
CID 102986844
4-(aminomethyl)-3-fluoro-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine
CID 105389620
4-(aminomethyl)-N-cyclopentyl-N-(2-methylpropyl)pyridazin-3-amine
CID 80509004
N-cyclopropyl-3-fluoro-4-(methylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine
CID 105389388
3-chloro-2-[cyclopentyl(3-methylbutyl)amino]pyridine-4-carbonitrile
CID 107058051
5-(aminomethyl)-N-cyclopentyl-4-methyl-N-(3-methylbutyl)pyrimidin-2-amine
CID 83189626
4-(aminomethyl)-N-(1-ethylpiperidin-4-yl)-3-fluoro-N-methylpyridin-2-amine
CID 105389498
4-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylbutyl)pyridin-2-amine
CID 105389049
3-[cyclopentyl(3-methylbutyl)amino]pyridazine-4-carbonitrile
CID 80510085

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-cyclopentyl-3-fluoro-N-(3-methylbutyl)pyridin-2-amine?
The IUPAC name of 4-(aminomethyl)-N-cyclopentyl-3-fluoro-N-(3-methylbutyl)pyridin-2-amine (CID 105390159) is 4-(aminomethyl)-N-cyclopentyl-3-fluoro-N-(3-methylbutyl)pyridin-2-amine.
What is the SMILES notation for 4-(aminomethyl)-N-cyclopentyl-3-fluoro-N-(3-methylbutyl)pyridin-2-amine?
The canonical SMILES for 4-(aminomethyl)-N-cyclopentyl-3-fluoro-N-(3-methylbutyl)pyridin-2-amine is CC(C)CCN(c1nccc(CN)c1F)C1CCCC1.
What is the InChIKey of 4-(aminomethyl)-N-cyclopentyl-3-fluoro-N-(3-methylbutyl)pyridin-2-amine?
The InChIKey is KNRSAYXDSYVHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3/c1-12(2)8-10-20(14-5-3-4-6-14)16-15(17)13(11-18)7-9-19-16/h7,9,12,14H,3-6,8,10-11,18H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-cyclopentyl-3-fluoro-N-(3-methylbutyl)pyridin-2-amine?
4-(aminomethyl)-N-cyclopentyl-3-fluoro-N-(3-methylbutyl)pyridin-2-amine has a molecular weight of 279.40 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-cyclopentyl-3-fluoro-N-(3-methylbutyl)pyridin-2-amine is sourced from PubChem (CID 105390159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).