4-methyl-N-(2-pyrrolidin-3-ylethyl)pentan-1-amine

C12H26N2 — CID 115210839

IUPAC4-methyl-N-(2-pyrrolidin-3-ylethyl)pentan-1-amine
SMILESCC(C)CCCNCCC1CCNC1
InChIInChI=1S/C12H26N2/c1-11(2)4-3-7-13-8-5-12-6-9-14-10-12/h11-14H,3-10H2,1-2H3
InChIKeyIYMKVGWWOKJVFL-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.01
Rot. Bonds7

About 4-methyl-N-(2-pyrrolidin-3-ylethyl)pentan-1-amine

4-methyl-N-(2-pyrrolidin-3-ylethyl)pentan-1-amine (PubChem CID 115210839) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 4-methyl-N-(2-pyrrolidin-3-ylethyl)pentan-1-amine.

Molecular Properties

Compound Name4-methyl-N-(2-pyrrolidin-3-ylethyl)pentan-1-amine
PubChem CID115210839
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name4-methyl-N-(2-pyrrolidin-3-ylethyl)pentan-1-amine
SMILESCC(C)CCCNCCC1CCNC1
InChIInChI=1S/C12H26N2/c1-11(2)4-3-7-13-8-5-12-6-9-14-10-12/h11-14H,3-10H2,1-2H3
InChIKeyIYMKVGWWOKJVFL-UHFFFAOYSA-N
XLogP2.01
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-N-(3-pyrrolidin-3-ylpropyl)hexan-1-amine
CID 115326036
5-methyl-N-(pyrrolidin-3-ylmethyl)hexan-1-amine
CID 115325962
N-[2-[(3S)-pyrrolidin-3-yl]ethyl]propan-2-amine;hydrochloride
CID 71637413
N-(3-methylbutyl)-N'-(piperidin-4-ylmethyl)propane-1,3-diamine
CID 142367999
7-methyl-N-(piperidin-3-ylmethyl)octan-1-amine
CID 80553700
2,3,3-trimethyl-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride
CID 119534841
5-methyl-N-(2-morpholin-2-ylethyl)hexan-1-amine
CID 115326053
4-methyl-N-[2-(4-methylpiperazin-2-yl)ethyl]pentan-1-amine
CID 115239467
3-(3-methylbutyl)piperidine
CID 53409753
4-pyrrolidin-3-ylbutan-2-ol
CID 82417870
N,4-dimethyl-N-(pyrrolidin-3-ylmethyl)pentan-1-amine
CID 115209057
N-(2-pyrrolidin-3-ylethyl)propane-2-sulfonamide
CID 63624529

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-pyrrolidin-3-ylethyl)pentan-1-amine?
The IUPAC name of 4-methyl-N-(2-pyrrolidin-3-ylethyl)pentan-1-amine (CID 115210839) is 4-methyl-N-(2-pyrrolidin-3-ylethyl)pentan-1-amine.
What is the SMILES notation for 4-methyl-N-(2-pyrrolidin-3-ylethyl)pentan-1-amine?
The canonical SMILES for 4-methyl-N-(2-pyrrolidin-3-ylethyl)pentan-1-amine is CC(C)CCCNCCC1CCNC1.
What is the InChIKey of 4-methyl-N-(2-pyrrolidin-3-ylethyl)pentan-1-amine?
The InChIKey is IYMKVGWWOKJVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-11(2)4-3-7-13-8-5-12-6-9-14-10-12/h11-14H,3-10H2,1-2H3.
What are the key properties of 4-methyl-N-(2-pyrrolidin-3-ylethyl)pentan-1-amine?
4-methyl-N-(2-pyrrolidin-3-ylethyl)pentan-1-amine has a molecular weight of 198.35 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-pyrrolidin-3-ylethyl)pentan-1-amine is sourced from PubChem (CID 115210839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).