2-(6-methyldodecan-6-yl)pyrazolidin-3-amine

C16H35N3 — CID 170307894

IUPAC2-(6-methyldodecan-6-yl)pyrazolidin-3-amine
SMILESCCCCCCC(C)(CCCCC)N1NCCC1N
InChIInChI=1S/C16H35N3/c1-4-6-8-10-13-16(3,12-9-7-5-2)19-15(17)11-14-18-19/h15,18H,4-14,17H2,1-3H3
InChIKeyIVYCVOPEDPEQLR-UHFFFAOYSA-N
MW269.48 g/mol
LogP3.79
Rot. Bonds10

About 2-(6-methyldodecan-6-yl)pyrazolidin-3-amine

2-(6-methyldodecan-6-yl)pyrazolidin-3-amine (PubChem CID 170307894) has the molecular formula C16H35N3 and a molecular weight of 269.48 g/mol. Its IUPAC name is 2-(6-methyldodecan-6-yl)pyrazolidin-3-amine.

Molecular Properties

Compound Name2-(6-methyldodecan-6-yl)pyrazolidin-3-amine
PubChem CID170307894
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC Name2-(6-methyldodecan-6-yl)pyrazolidin-3-amine
SMILESCCCCCCC(C)(CCCCC)N1NCCC1N
InChIInChI=1S/C16H35N3/c1-4-6-8-10-13-16(3,12-9-7-5-2)19-15(17)11-14-18-19/h15,18H,4-14,17H2,1-3H3
InChIKeyIVYCVOPEDPEQLR-UHFFFAOYSA-N
XLogP3.79
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(6-methyldodecan-6-yl)pyrrolidin-2-amine
CID 170325114
1-(6-methyldodecan-6-yl)pyrazolidin-3-amine
CID 170309506
3-(6-methylundecan-6-yl)imidazolidin-4-amine
CID 170307896
1-(6-methyldodecan-6-yl)azetidin-3-amine
CID 130337700
1-(7-methyltetradecan-7-yl)-1,3-diazetidine
CID 139436879
4-(8-methylpentadecan-8-yl)piperidine
CID 167069655
1-(7-methyltetradecan-7-yl)piperidin-3-amine
CID 126486331
4-methyl-1-(7-methyltridecan-7-yl)piperidin-3-amine
CID 130337153
N-(2-methylnonan-2-yl)piperidin-4-amine
CID 167126912
N-(6-methyltridecan-6-yl)piperidin-4-amine
CID 175625026
2-(4-tert-butylpiperidin-1-yl)-2-methylnonan-1-amine
CID 63465793
2-methyl-2-(4-propan-2-ylpiperidin-1-yl)nonan-1-amine
CID 103494824

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyldodecan-6-yl)pyrazolidin-3-amine?
The IUPAC name of 2-(6-methyldodecan-6-yl)pyrazolidin-3-amine (CID 170307894) is 2-(6-methyldodecan-6-yl)pyrazolidin-3-amine.
What is the SMILES notation for 2-(6-methyldodecan-6-yl)pyrazolidin-3-amine?
The canonical SMILES for 2-(6-methyldodecan-6-yl)pyrazolidin-3-amine is CCCCCCC(C)(CCCCC)N1NCCC1N.
What is the InChIKey of 2-(6-methyldodecan-6-yl)pyrazolidin-3-amine?
The InChIKey is IVYCVOPEDPEQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3/c1-4-6-8-10-13-16(3,12-9-7-5-2)19-15(17)11-14-18-19/h15,18H,4-14,17H2,1-3H3.
What are the key properties of 2-(6-methyldodecan-6-yl)pyrazolidin-3-amine?
2-(6-methyldodecan-6-yl)pyrazolidin-3-amine has a molecular weight of 269.48 g/mol, XLogP of 3.79, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyldodecan-6-yl)pyrazolidin-3-amine is sourced from PubChem (CID 170307894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).