5-methyl-N-(pyrrolidin-3-ylmethyl)hexan-1-amine

C12H26N2 — CID 115325962

IUPAC5-methyl-N-(pyrrolidin-3-ylmethyl)hexan-1-amine
SMILESCC(C)CCCCNCC1CCNC1
InChIInChI=1S/C12H26N2/c1-11(2)5-3-4-7-13-9-12-6-8-14-10-12/h11-14H,3-10H2,1-2H3
InChIKeyNZESLUGVSGBJSU-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.01
Rot. Bonds7

About 5-methyl-N-(pyrrolidin-3-ylmethyl)hexan-1-amine

5-methyl-N-(pyrrolidin-3-ylmethyl)hexan-1-amine (PubChem CID 115325962) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 5-methyl-N-(pyrrolidin-3-ylmethyl)hexan-1-amine.

Molecular Properties

Compound Name5-methyl-N-(pyrrolidin-3-ylmethyl)hexan-1-amine
PubChem CID115325962
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name5-methyl-N-(pyrrolidin-3-ylmethyl)hexan-1-amine
SMILESCC(C)CCCCNCC1CCNC1
InChIInChI=1S/C12H26N2/c1-11(2)5-3-4-7-13-9-12-6-8-14-10-12/h11-14H,3-10H2,1-2H3
InChIKeyNZESLUGVSGBJSU-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

7-methyl-N-(piperidin-3-ylmethyl)octan-1-amine
CID 80553700
5-methyl-N-(3-pyrrolidin-3-ylpropyl)hexan-1-amine
CID 115326036
4-methyl-N-(2-pyrrolidin-3-ylethyl)pentan-1-amine
CID 115210839
N-(3-methylbutyl)-N'-(piperidin-4-ylmethyl)propane-1,3-diamine
CID 142367999
N-(pyrrolidin-3-ylmethyl)propan-1-amine
CID 13491799
2-methoxy-N-(pyrrolidin-3-ylmethyl)ethanamine
CID 63006353
5-methyl-N-(thiolan-3-ylmethyl)hexan-1-amine
CID 107132315
2-[4-(2-methylpropyl)phenyl]-N-(pyrrolidin-3-ylmethyl)ethanamine
CID 115208978
N-(cyclohexylmethyl)-4-methylpentan-1-amine
CID 60743779
ethane;N'-[(2S,5R)-5-methylheptan-2-yl]-N-[[(3S)-pyrrolidin-3-yl]methyl]ethane-1,2-diamine
CID 177134730
5-methyl-N-[(2-methylpyrrolidin-3-yl)methyl]hexan-1-amine
CID 115326087
5-methyl-N-(piperidin-2-ylmethyl)hexan-1-amine
CID 115325988

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(pyrrolidin-3-ylmethyl)hexan-1-amine?
The IUPAC name of 5-methyl-N-(pyrrolidin-3-ylmethyl)hexan-1-amine (CID 115325962) is 5-methyl-N-(pyrrolidin-3-ylmethyl)hexan-1-amine.
What is the SMILES notation for 5-methyl-N-(pyrrolidin-3-ylmethyl)hexan-1-amine?
The canonical SMILES for 5-methyl-N-(pyrrolidin-3-ylmethyl)hexan-1-amine is CC(C)CCCCNCC1CCNC1.
What is the InChIKey of 5-methyl-N-(pyrrolidin-3-ylmethyl)hexan-1-amine?
The InChIKey is NZESLUGVSGBJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-11(2)5-3-4-7-13-9-12-6-8-14-10-12/h11-14H,3-10H2,1-2H3.
What are the key properties of 5-methyl-N-(pyrrolidin-3-ylmethyl)hexan-1-amine?
5-methyl-N-(pyrrolidin-3-ylmethyl)hexan-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 5-methyl-N-(pyrrolidin-3-ylmethyl)hexan-1-amine is sourced from PubChem (CID 115325962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).