3-(4-fluoroazepan-1-yl)-N-methylpropan-1-amine

C10H21FN2 — CID 115017634

IUPAC3-(4-fluoroazepan-1-yl)-N-methylpropan-1-amine
SMILESCNCCCN1CCCC(F)CC1
InChIInChI=1S/C10H21FN2/c1-12-6-3-8-13-7-2-4-10(11)5-9-13/h10,12H,2-9H2,1H3
InChIKeyNEBLJSNCGXQNJV-UHFFFAOYSA-N
MW188.29 g/mol
LogP1.42
Rot. Bonds4

About 3-(4-fluoroazepan-1-yl)-N-methylpropan-1-amine

3-(4-fluoroazepan-1-yl)-N-methylpropan-1-amine (PubChem CID 115017634) has the molecular formula C10H21FN2 and a molecular weight of 188.29 g/mol. Its IUPAC name is 3-(4-fluoroazepan-1-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(4-fluoroazepan-1-yl)-N-methylpropan-1-amine
PubChem CID115017634
Molecular FormulaC10H21FN2
Molecular Weight188.29 g/mol
Exact Mass188.17
IUPAC Name3-(4-fluoroazepan-1-yl)-N-methylpropan-1-amine
SMILESCNCCCN1CCCC(F)CC1
InChIInChI=1S/C10H21FN2/c1-12-6-3-8-13-7-2-4-10(11)5-9-13/h10,12H,2-9H2,1H3
InChIKeyNEBLJSNCGXQNJV-UHFFFAOYSA-N
XLogP1.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-3-pyrrolidin-1-ylpropan-1-amine;molecular hydrogen
CID 143591105
4-(azocan-1-yl)-N-methylbutan-1-amine
CID 60841178
2-[(3S)-3-fluoropyrrolidin-1-yl]-N-methylethanamine
CID 134444038
N-methyl-4-(4-propan-2-ylpiperidin-1-yl)butan-1-amine
CID 103497352
N-methyl-3-(2-piperidin-1-ylethoxy)propan-1-amine
CID 62459312
ethane;N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 143417391
N-methyl-3-(4-propylpiperazin-1-yl)propan-1-amine
CID 59478173
1-[3-(methylamino)propyl]piperidine-3-carboxamide
CID 61386237
(3S)-1-[6-(methylamino)hexyl]piperidin-3-amine
CID 175905935
1-[5-(methylamino)pentyl]-N-propan-2-ylpiperidin-4-amine
CID 155741227
4-(4-tert-butylpiperidin-1-yl)-N-methylbutan-1-amine
CID 62084191
3-fluoro-1-(4-methylpentyl)piperidine
CID 58664939

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoroazepan-1-yl)-N-methylpropan-1-amine?
The IUPAC name of 3-(4-fluoroazepan-1-yl)-N-methylpropan-1-amine (CID 115017634) is 3-(4-fluoroazepan-1-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(4-fluoroazepan-1-yl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(4-fluoroazepan-1-yl)-N-methylpropan-1-amine is CNCCCN1CCCC(F)CC1.
What is the InChIKey of 3-(4-fluoroazepan-1-yl)-N-methylpropan-1-amine?
The InChIKey is NEBLJSNCGXQNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21FN2/c1-12-6-3-8-13-7-2-4-10(11)5-9-13/h10,12H,2-9H2,1H3.
What are the key properties of 3-(4-fluoroazepan-1-yl)-N-methylpropan-1-amine?
3-(4-fluoroazepan-1-yl)-N-methylpropan-1-amine has a molecular weight of 188.29 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoroazepan-1-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 115017634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).