[1,5-dimethyl-3-(2-methylazepan-1-yl)pyrrolidin-3-yl]methanamine

C14H29N3 — CID 81467694

IUPAC[1,5-dimethyl-3-(2-methylazepan-1-yl)pyrrolidin-3-yl]methanamine
SMILESCC1CC(CN)(N2CCCCCC2C)CN1C
InChIInChI=1S/C14H29N3/c1-12-7-5-4-6-8-17(12)14(10-15)9-13(2)16(3)11-14/h12-13H,4-11,15H2,1-3H3
InChIKeyKJPTVFKAGKHBHP-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.67
Rot. Bonds2

About [1,5-dimethyl-3-(2-methylazepan-1-yl)pyrrolidin-3-yl]methanamine

[1,5-dimethyl-3-(2-methylazepan-1-yl)pyrrolidin-3-yl]methanamine (PubChem CID 81467694) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is [1,5-dimethyl-3-(2-methylazepan-1-yl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1,5-dimethyl-3-(2-methylazepan-1-yl)pyrrolidin-3-yl]methanamine
PubChem CID81467694
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name[1,5-dimethyl-3-(2-methylazepan-1-yl)pyrrolidin-3-yl]methanamine
SMILESCC1CC(CN)(N2CCCCCC2C)CN1C
InChIInChI=1S/C14H29N3/c1-12-7-5-4-6-8-17(12)14(10-15)9-13(2)16(3)11-14/h12-13H,4-11,15H2,1-3H3
InChIKeyKJPTVFKAGKHBHP-UHFFFAOYSA-N
XLogP1.67
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1,5-dimethyl-3-(2-methylazepan-1-yl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1,5-dimethyl-3-(2-methylazepan-1-yl)pyrrolidin-3-yl]methanamine (CID 81467694) is [1,5-dimethyl-3-(2-methylazepan-1-yl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1,5-dimethyl-3-(2-methylazepan-1-yl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1,5-dimethyl-3-(2-methylazepan-1-yl)pyrrolidin-3-yl]methanamine is CC1CC(CN)(N2CCCCCC2C)CN1C.
What is the InChIKey of [1,5-dimethyl-3-(2-methylazepan-1-yl)pyrrolidin-3-yl]methanamine?
The InChIKey is KJPTVFKAGKHBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-12-7-5-4-6-8-17(12)14(10-15)9-13(2)16(3)11-14/h12-13H,4-11,15H2,1-3H3.
What are the key properties of [1,5-dimethyl-3-(2-methylazepan-1-yl)pyrrolidin-3-yl]methanamine?
[1,5-dimethyl-3-(2-methylazepan-1-yl)pyrrolidin-3-yl]methanamine has a molecular weight of 239.41 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1,5-dimethyl-3-(2-methylazepan-1-yl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 81467694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).