[1-methyl-3-(4-methylazepan-1-yl)pyrrolidin-3-yl]methanamine

C13H27N3 — CID 63622763

IUPAC[1-methyl-3-(4-methylazepan-1-yl)pyrrolidin-3-yl]methanamine
SMILESCC1CCCN(C2(CN)CCN(C)C2)CC1
InChIInChI=1S/C13H27N3/c1-12-4-3-7-16(8-5-12)13(10-14)6-9-15(2)11-13/h12H,3-11,14H2,1-2H3
InChIKeyPOGZWUIAYLAVCI-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.14
Rot. Bonds2

About [1-methyl-3-(4-methylazepan-1-yl)pyrrolidin-3-yl]methanamine

[1-methyl-3-(4-methylazepan-1-yl)pyrrolidin-3-yl]methanamine (PubChem CID 63622763) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is [1-methyl-3-(4-methylazepan-1-yl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-methyl-3-(4-methylazepan-1-yl)pyrrolidin-3-yl]methanamine
PubChem CID63622763
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name[1-methyl-3-(4-methylazepan-1-yl)pyrrolidin-3-yl]methanamine
SMILESCC1CCCN(C2(CN)CCN(C)C2)CC1
InChIInChI=1S/C13H27N3/c1-12-4-3-7-16(8-5-12)13(10-14)6-9-15(2)11-13/h12H,3-11,14H2,1-2H3
InChIKeyPOGZWUIAYLAVCI-UHFFFAOYSA-N
XLogP1.14
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-3-(4-methylazepan-1-yl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-methyl-3-(4-methylazepan-1-yl)pyrrolidin-3-yl]methanamine (CID 63622763) is [1-methyl-3-(4-methylazepan-1-yl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-methyl-3-(4-methylazepan-1-yl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-methyl-3-(4-methylazepan-1-yl)pyrrolidin-3-yl]methanamine is CC1CCCN(C2(CN)CCN(C)C2)CC1.
What is the InChIKey of [1-methyl-3-(4-methylazepan-1-yl)pyrrolidin-3-yl]methanamine?
The InChIKey is POGZWUIAYLAVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-12-4-3-7-16(8-5-12)13(10-14)6-9-15(2)11-13/h12H,3-11,14H2,1-2H3.
What are the key properties of [1-methyl-3-(4-methylazepan-1-yl)pyrrolidin-3-yl]methanamine?
[1-methyl-3-(4-methylazepan-1-yl)pyrrolidin-3-yl]methanamine has a molecular weight of 225.38 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-3-(4-methylazepan-1-yl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 63622763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).