4-N-(3-fluoro-2-pyridinyl)-4-N-propylcyclohexane-1,4-diamine

C14H22FN3 — CID 79112187

IUPAC4-N-(3-fluoro-2-pyridinyl)-4-N-propylcyclohexane-1,4-diamine
SMILESCCCN(c1ncccc1F)C1CCC(N)CC1
InChIInChI=1S/C14H22FN3/c1-2-10-18(12-7-5-11(16)6-8-12)14-13(15)4-3-9-17-14/h3-4,9,11-12H,2,5-8,10,16H2,1H3
InChIKeyZXEQFQNKVFJKEQ-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.71
Rot. Bonds4

About 4-N-(3-fluoro-2-pyridinyl)-4-N-propylcyclohexane-1,4-diamine

4-N-(3-fluoro-2-pyridinyl)-4-N-propylcyclohexane-1,4-diamine (PubChem CID 79112187) has the molecular formula C14H22FN3 and a molecular weight of 251.35 g/mol. Its IUPAC name is 4-N-(3-fluoro-2-pyridinyl)-4-N-propylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(3-fluoro-2-pyridinyl)-4-N-propylcyclohexane-1,4-diamine
PubChem CID79112187
Molecular FormulaC14H22FN3
Molecular Weight251.35 g/mol
Exact Mass251.18
IUPAC Name4-N-(3-fluoro-2-pyridinyl)-4-N-propylcyclohexane-1,4-diamine
SMILESCCCN(c1ncccc1F)C1CCC(N)CC1
InChIInChI=1S/C14H22FN3/c1-2-10-18(12-7-5-11(16)6-8-12)14-13(15)4-3-9-17-14/h3-4,9,11-12H,2,5-8,10,16H2,1H3
InChIKeyZXEQFQNKVFJKEQ-UHFFFAOYSA-N
XLogP2.71
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(azetidin-3-yl)-3-fluoro-N-propylpyridin-2-amine
CID 66216548
N-(2-bromoethyl)-N-cyclopentyl-3-fluoropyridin-2-amine
CID 80669537
3-(chloromethyl)-N-cyclopropyl-N-propylpyridin-2-amine
CID 61255764
2-[cyclopropyl(propyl)amino]pyridine-3-carbonitrile
CID 43270562
3-fluoro-N-methyl-N-propylpyridin-2-amine
CID 131175805
[2-[butyl(cyclopropyl)amino]-3-pyridinyl]methanol
CID 61445710
4-N-(5-methyl-2-pyridinyl)-4-N-propylcyclohexane-1,4-diamine
CID 79112114
4-N-(4-ethoxypyrimidin-2-yl)-4-N-propylcyclohexane-1,4-diamine
CID 115975442
4-N-(6-ethoxy-5-methylpyrimidin-4-yl)-4-N-propylcyclohexane-1,4-diamine
CID 79117886
2-[(3-fluoro-2-pyridinyl)-propylamino]ethanol
CID 62734185
3-(2-aminopropyl)-N-butyl-N-cyclopropylpyridin-2-amine
CID 114057413
2-(aminomethyl)-N-cyclopropyl-3-fluoro-N-propylaniline
CID 79517972

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-fluoro-2-pyridinyl)-4-N-propylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-(3-fluoro-2-pyridinyl)-4-N-propylcyclohexane-1,4-diamine (CID 79112187) is 4-N-(3-fluoro-2-pyridinyl)-4-N-propylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(3-fluoro-2-pyridinyl)-4-N-propylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(3-fluoro-2-pyridinyl)-4-N-propylcyclohexane-1,4-diamine is CCCN(c1ncccc1F)C1CCC(N)CC1.
What is the InChIKey of 4-N-(3-fluoro-2-pyridinyl)-4-N-propylcyclohexane-1,4-diamine?
The InChIKey is ZXEQFQNKVFJKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3/c1-2-10-18(12-7-5-11(16)6-8-12)14-13(15)4-3-9-17-14/h3-4,9,11-12H,2,5-8,10,16H2,1H3.
What are the key properties of 4-N-(3-fluoro-2-pyridinyl)-4-N-propylcyclohexane-1,4-diamine?
4-N-(3-fluoro-2-pyridinyl)-4-N-propylcyclohexane-1,4-diamine has a molecular weight of 251.35 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-fluoro-2-pyridinyl)-4-N-propylcyclohexane-1,4-diamine is sourced from PubChem (CID 79112187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).