1-(6-methyldodecan-6-yl)pyrrolidin-2-amine

C17H36N2 — CID 170325114

IUPAC1-(6-methyldodecan-6-yl)pyrrolidin-2-amine
SMILESCCCCCCC(C)(CCCCC)N1CCCC1N
InChIInChI=1S/C17H36N2/c1-4-6-8-10-14-17(3,13-9-7-5-2)19-15-11-12-16(19)18/h16H,4-15,18H2,1-3H3
InChIKeyGJOGCMWSDSAHQF-UHFFFAOYSA-N
MW268.49 g/mol
LogP4.68
Rot. Bonds10

About 1-(6-methyldodecan-6-yl)pyrrolidin-2-amine

1-(6-methyldodecan-6-yl)pyrrolidin-2-amine (PubChem CID 170325114) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 1-(6-methyldodecan-6-yl)pyrrolidin-2-amine.

Molecular Properties

Compound Name1-(6-methyldodecan-6-yl)pyrrolidin-2-amine
PubChem CID170325114
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name1-(6-methyldodecan-6-yl)pyrrolidin-2-amine
SMILESCCCCCCC(C)(CCCCC)N1CCCC1N
InChIInChI=1S/C17H36N2/c1-4-6-8-10-14-17(3,13-9-7-5-2)19-15-11-12-16(19)18/h16H,4-15,18H2,1-3H3
InChIKeyGJOGCMWSDSAHQF-UHFFFAOYSA-N
XLogP4.68
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(7-methyltetradecan-7-yl)piperidin-3-amine
CID 126486331
(2S)-2-(methoxymethyl)-1-(5-methylundecan-5-yl)pyrrolidine
CID 146553988
3-(6-methylundecan-6-yl)imidazolidin-4-amine
CID 170307896
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylnonan-1-amine
CID 62885069
2-(2-ethylpiperidin-1-yl)-2-methylnonan-1-amine
CID 43266378
2-methyl-2-(2-propan-2-ylpyrrolidin-1-yl)heptan-1-amine
CID 80557427
2-(6-methyldodecan-6-yl)pyrazolidin-3-amine
CID 170307894
1-(6-methyldodecan-6-yl)pyrazolidin-3-amine
CID 170309506
1-(7-methyltridecan-7-yl)pyrrolidine
CID 131990775
1-(6-methyldodecan-6-yl)azetidin-3-amine
CID 130337700
4-methyl-1-(7-methyltridecan-7-yl)piperidin-3-amine
CID 130337153
2-(4-tert-butylpiperidin-1-yl)-2-methylnonan-1-amine
CID 63465793

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyldodecan-6-yl)pyrrolidin-2-amine?
The IUPAC name of 1-(6-methyldodecan-6-yl)pyrrolidin-2-amine (CID 170325114) is 1-(6-methyldodecan-6-yl)pyrrolidin-2-amine.
What is the SMILES notation for 1-(6-methyldodecan-6-yl)pyrrolidin-2-amine?
The canonical SMILES for 1-(6-methyldodecan-6-yl)pyrrolidin-2-amine is CCCCCCC(C)(CCCCC)N1CCCC1N.
What is the InChIKey of 1-(6-methyldodecan-6-yl)pyrrolidin-2-amine?
The InChIKey is GJOGCMWSDSAHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-4-6-8-10-14-17(3,13-9-7-5-2)19-15-11-12-16(19)18/h16H,4-15,18H2,1-3H3.
What are the key properties of 1-(6-methyldodecan-6-yl)pyrrolidin-2-amine?
1-(6-methyldodecan-6-yl)pyrrolidin-2-amine has a molecular weight of 268.49 g/mol, XLogP of 4.68, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyldodecan-6-yl)pyrrolidin-2-amine is sourced from PubChem (CID 170325114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).