N-(1-methylpyrrolidin-3-yl)azepan-4-amine

C11H23N3 — CID 103981819

IUPACN-(1-methylpyrrolidin-3-yl)azepan-4-amine
SMILESCN1CCC(NC2CCCNCC2)C1
InChIInChI=1S/C11H23N3/c1-14-8-5-11(9-14)13-10-3-2-6-12-7-4-10/h10-13H,2-9H2,1H3
InChIKeyKEHUACDGXGUVHP-UHFFFAOYSA-N
MW197.33 g/mol
LogP0.42
Rot. Bonds2

About N-(1-methylpyrrolidin-3-yl)azepan-4-amine

N-(1-methylpyrrolidin-3-yl)azepan-4-amine (PubChem CID 103981819) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is N-(1-methylpyrrolidin-3-yl)azepan-4-amine.

Molecular Properties

Compound NameN-(1-methylpyrrolidin-3-yl)azepan-4-amine
PubChem CID103981819
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC NameN-(1-methylpyrrolidin-3-yl)azepan-4-amine
SMILESCN1CCC(NC2CCCNCC2)C1
InChIInChI=1S/C11H23N3/c1-14-8-5-11(9-14)13-10-3-2-6-12-7-4-10/h10-13H,2-9H2,1H3
InChIKeyKEHUACDGXGUVHP-UHFFFAOYSA-N
XLogP0.42
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-piperidin-4-ylpiperidin-4-amine;trihydrochloride
CID 68591431
N-cyclopentyl-1-methylpiperidin-4-amine;dihydrochloride
CID 53408550
1-methyl-N-(oxan-4-yl)pyrrolidin-3-amine
CID 61462196
1-methyl-N-(oxetan-3-yl)pyrrolidin-3-amine
CID 63623290
N-[(1,4-dimethylpiperazin-2-yl)methyl]azepan-4-amine
CID 103982170
N-(azepan-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 113361626
1-(1-methylpiperidin-3-yl)-3-piperidin-4-ylurea
CID 117234729
N-cyclopropyl-1-methylazepan-4-amine
CID 65071330
1-methyl-N-(3-propan-2-ylcyclohexyl)pyrrolidin-3-amine
CID 103748264
4-[(1-methylpiperidin-3-yl)amino]azepan-2-one
CID 63887519
N-(2-methylcyclopropyl)azepan-4-amine
CID 103982013
N-(1-methylpyrrolidin-3-yl)piperidine-4-carboxamide
CID 61465348

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrrolidin-3-yl)azepan-4-amine?
The IUPAC name of N-(1-methylpyrrolidin-3-yl)azepan-4-amine (CID 103981819) is N-(1-methylpyrrolidin-3-yl)azepan-4-amine.
What is the SMILES notation for N-(1-methylpyrrolidin-3-yl)azepan-4-amine?
The canonical SMILES for N-(1-methylpyrrolidin-3-yl)azepan-4-amine is CN1CCC(NC2CCCNCC2)C1.
What is the InChIKey of N-(1-methylpyrrolidin-3-yl)azepan-4-amine?
The InChIKey is KEHUACDGXGUVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-14-8-5-11(9-14)13-10-3-2-6-12-7-4-10/h10-13H,2-9H2,1H3.
What are the key properties of N-(1-methylpyrrolidin-3-yl)azepan-4-amine?
N-(1-methylpyrrolidin-3-yl)azepan-4-amine has a molecular weight of 197.33 g/mol, XLogP of 0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrrolidin-3-yl)azepan-4-amine is sourced from PubChem (CID 103981819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).