1-[(4-fluoro-4-methylazepan-1-yl)methyl]cyclopropan-1-amine

C11H21FN2 — CID 115022058

IUPAC1-[(4-fluoro-4-methylazepan-1-yl)methyl]cyclopropan-1-amine
SMILESCC1(F)CCCN(CC2(N)CC2)CC1
InChIInChI=1S/C11H21FN2/c1-10(12)3-2-7-14(8-6-10)9-11(13)4-5-11/h2-9,13H2,1H3
InChIKeyBVAGFEJYNUKTQR-UHFFFAOYSA-N
MW200.30 g/mol
LogP1.69
Rot. Bonds2

About 1-[(4-fluoro-4-methylazepan-1-yl)methyl]cyclopropan-1-amine

1-[(4-fluoro-4-methylazepan-1-yl)methyl]cyclopropan-1-amine (PubChem CID 115022058) has the molecular formula C11H21FN2 and a molecular weight of 200.30 g/mol. Its IUPAC name is 1-[(4-fluoro-4-methylazepan-1-yl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(4-fluoro-4-methylazepan-1-yl)methyl]cyclopropan-1-amine
PubChem CID115022058
Molecular FormulaC11H21FN2
Molecular Weight200.30 g/mol
Exact Mass200.17
IUPAC Name1-[(4-fluoro-4-methylazepan-1-yl)methyl]cyclopropan-1-amine
SMILESCC1(F)CCCN(CC2(N)CC2)CC1
InChIInChI=1S/C11H21FN2/c1-10(12)3-2-7-14(8-6-10)9-11(13)4-5-11/h2-9,13H2,1H3
InChIKeyBVAGFEJYNUKTQR-UHFFFAOYSA-N
XLogP1.69
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-1-tert-butyl-4-(2,2-difluoroethyl)azepan-4-amine
CID 155184112
(4R)-4-(2,2-difluoroethyl)-1-methylazepan-4-amine
CID 155204122
(3R,4S)-4-fluoro-N,1,4-trimethylazepan-3-amine
CID 167295224
1-Ethyl-4-(trifluoromethyl)azepan-4-amine
CID 65077238
1-Propyl-4-(trifluoromethyl)azepan-4-amine
CID 65077239
4-(aminomethyl)-1-ethyl-N-(2,2,2-trifluoroethyl)azepan-4-amine
CID 65376344
4-(aminomethyl)-1-propyl-N-(2,2,2-trifluoroethyl)azepan-4-amine
CID 65378428
4-(aminomethyl)-1-methyl-N-(2,2,2-trifluoroethyl)azepan-4-amine
CID 65379069
2-(Azepan-1-yl)-6,6,6-trifluoro-2-methylhexan-3-amine
CID 79051089
4-(Difluoromethyl)-1-propylazepan-4-amine
CID 80604308
4-(Difluoromethyl)-1-methylazepan-4-amine
CID 80605132
4-(Difluoromethyl)-1-ethylazepan-4-amine
CID 80605600

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluoro-4-methylazepan-1-yl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(4-fluoro-4-methylazepan-1-yl)methyl]cyclopropan-1-amine (CID 115022058) is 1-[(4-fluoro-4-methylazepan-1-yl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(4-fluoro-4-methylazepan-1-yl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(4-fluoro-4-methylazepan-1-yl)methyl]cyclopropan-1-amine is CC1(F)CCCN(CC2(N)CC2)CC1.
What is the InChIKey of 1-[(4-fluoro-4-methylazepan-1-yl)methyl]cyclopropan-1-amine?
The InChIKey is BVAGFEJYNUKTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FN2/c1-10(12)3-2-7-14(8-6-10)9-11(13)4-5-11/h2-9,13H2,1H3.
What are the key properties of 1-[(4-fluoro-4-methylazepan-1-yl)methyl]cyclopropan-1-amine?
1-[(4-fluoro-4-methylazepan-1-yl)methyl]cyclopropan-1-amine has a molecular weight of 200.30 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluoro-4-methylazepan-1-yl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 115022058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).