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

C14H30N2 — CID 115326036

IUPAC5-methyl-N-(3-pyrrolidin-3-ylpropyl)hexan-1-amine
SMILESCC(C)CCCCNCCCC1CCNC1
InChIInChI=1S/C14H30N2/c1-13(2)6-3-4-9-15-10-5-7-14-8-11-16-12-14/h13-16H,3-12H2,1-2H3
InChIKeyDMEGHAJLEFZCLY-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.79
Rot. Bonds9

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

5-methyl-N-(3-pyrrolidin-3-ylpropyl)hexan-1-amine (PubChem CID 115326036) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 5-methyl-N-(3-pyrrolidin-3-ylpropyl)hexan-1-amine.

Molecular Properties

Compound Name5-methyl-N-(3-pyrrolidin-3-ylpropyl)hexan-1-amine
PubChem CID115326036
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name5-methyl-N-(3-pyrrolidin-3-ylpropyl)hexan-1-amine
SMILESCC(C)CCCCNCCCC1CCNC1
InChIInChI=1S/C14H30N2/c1-13(2)6-3-4-9-15-10-5-7-14-8-11-16-12-14/h13-16H,3-12H2,1-2H3
InChIKeyDMEGHAJLEFZCLY-UHFFFAOYSA-N
XLogP2.79
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.79
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

4-methyl-N-(2-pyrrolidin-3-ylethyl)pentan-1-amine
CID 115210839
5-methyl-N-(pyrrolidin-3-ylmethyl)hexan-1-amine
CID 115325962
7-methyl-N-(piperidin-3-ylmethyl)octan-1-amine
CID 80553700
5-methyl-N-(2-morpholin-2-ylethyl)hexan-1-amine
CID 115326053
N-(3-methylbutyl)-N'-(piperidin-4-ylmethyl)propane-1,3-diamine
CID 142367999
11-methyl-N-(6-methylheptyl)dodecan-1-amine
CID 175343740
10-methyl-N-(10-methylundecyl)undecan-1-amine
CID 22625170
N-[2-[(3S)-pyrrolidin-3-yl]ethyl]propan-2-amine;hydrochloride
CID 71637413
7-(azetidin-3-yl)-N-ethyl-3-propylheptan-1-amine;ethane;N'-(3-piperidin-4-ylpropyl)-N-propylbutane-1,4-diamine
CID 156885223
3-(3-methylbutyl)piperidine
CID 53409753
4-pyrrolidin-3-ylbutan-2-ol
CID 82417870
4-(6-methylheptyl)azonane
CID 18957808

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(3-pyrrolidin-3-ylpropyl)hexan-1-amine?
The IUPAC name of 5-methyl-N-(3-pyrrolidin-3-ylpropyl)hexan-1-amine (CID 115326036) is 5-methyl-N-(3-pyrrolidin-3-ylpropyl)hexan-1-amine.
What is the SMILES notation for 5-methyl-N-(3-pyrrolidin-3-ylpropyl)hexan-1-amine?
The canonical SMILES for 5-methyl-N-(3-pyrrolidin-3-ylpropyl)hexan-1-amine is CC(C)CCCCNCCCC1CCNC1.
What is the InChIKey of 5-methyl-N-(3-pyrrolidin-3-ylpropyl)hexan-1-amine?
The InChIKey is DMEGHAJLEFZCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-13(2)6-3-4-9-15-10-5-7-14-8-11-16-12-14/h13-16H,3-12H2,1-2H3.
What are the key properties of 5-methyl-N-(3-pyrrolidin-3-ylpropyl)hexan-1-amine?
5-methyl-N-(3-pyrrolidin-3-ylpropyl)hexan-1-amine has a molecular weight of 226.41 g/mol, XLogP of 2.79, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(3-pyrrolidin-3-ylpropyl)hexan-1-amine is sourced from PubChem (CID 115326036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).