N-(2-methylpentan-2-yl)-N-tridecyltridecan-1-amine

C32H67N — CID 139722947

IUPACN-(2-methylpentan-2-yl)-N-tridecyltridecan-1-amine
SMILESCCCCCCCCCCCCCN(CCCCCCCCCCCCC)C(C)(C)CCC
InChIInChI=1S/C32H67N/c1-6-9-11-13-15-17-19-21-23-25-27-30-33(32(4,5)29-8-3)31-28-26-24-22-20-18-16-14-12-10-7-2/h6-31H2,1-5H3
InChIKeyNJOQZXMMPLLLQO-UHFFFAOYSA-N
MW465.90 g/mol
LogP11.49
Rot. Bonds27

About N-(2-methylpentan-2-yl)-N-tridecyltridecan-1-amine

N-(2-methylpentan-2-yl)-N-tridecyltridecan-1-amine (PubChem CID 139722947) has the molecular formula C32H67N and a molecular weight of 465.90 g/mol. Its IUPAC name is N-(2-methylpentan-2-yl)-N-tridecyltridecan-1-amine.

Molecular Properties

Compound NameN-(2-methylpentan-2-yl)-N-tridecyltridecan-1-amine
PubChem CID139722947
Molecular FormulaC32H67N
Molecular Weight465.90 g/mol
Exact Mass465.53
IUPAC NameN-(2-methylpentan-2-yl)-N-tridecyltridecan-1-amine
SMILESCCCCCCCCCCCCCN(CCCCCCCCCCCCC)C(C)(C)CCC
InChIInChI=1S/C32H67N/c1-6-9-11-13-15-17-19-21-23-25-27-30-33(32(4,5)29-8-3)31-28-26-24-22-20-18-16-14-12-10-7-2/h6-31H2,1-5H3
InChIKeyNJOQZXMMPLLLQO-UHFFFAOYSA-N
XLogP11.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds27
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.90
LogP ≤ 511.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylpentan-2-yl)-N-nonylnonan-1-amine
CID 139723287
2-methyl-N,N-dipentylpentan-2-amine
CID 139722937
2-methyl-N,N-dioctyloctan-2-amine
CID 139723132
N-hexadecyl-N-(2-methyldodecan-2-yl)hexadecan-1-amine
CID 139722634
N-dodecyl-N-(2-methyldecan-2-yl)dodecan-1-amine
CID 139723218
2-methyl-N,N-dipentyltetradecan-2-amine
CID 139724044
N,N-diheptyl-2-methylhexadecan-2-amine
CID 139723991
N-(2-methylhexan-2-yl)-N-nonylnonan-1-amine
CID 139722528
2-methyl-N,N-dipentyldodecan-2-amine
CID 139723912
N,N-dibutyl-2-methyltridecan-2-amine
CID 139722589
3-[3-hydroxypropyl(2-methylundecan-2-yl)amino]propan-1-ol
CID 18184043
N-ethyl-N-(4-methylheptan-4-yl)decan-1-amine
CID 154429867

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpentan-2-yl)-N-tridecyltridecan-1-amine?
The IUPAC name of N-(2-methylpentan-2-yl)-N-tridecyltridecan-1-amine (CID 139722947) is N-(2-methylpentan-2-yl)-N-tridecyltridecan-1-amine.
What is the SMILES notation for N-(2-methylpentan-2-yl)-N-tridecyltridecan-1-amine?
The canonical SMILES for N-(2-methylpentan-2-yl)-N-tridecyltridecan-1-amine is CCCCCCCCCCCCCN(CCCCCCCCCCCCC)C(C)(C)CCC.
What is the InChIKey of N-(2-methylpentan-2-yl)-N-tridecyltridecan-1-amine?
The InChIKey is NJOQZXMMPLLLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H67N/c1-6-9-11-13-15-17-19-21-23-25-27-30-33(32(4,5)29-8-3)31-28-26-24-22-20-18-16-14-12-10-7-2/h6-31H2,1-5H3.
What are the key properties of N-(2-methylpentan-2-yl)-N-tridecyltridecan-1-amine?
N-(2-methylpentan-2-yl)-N-tridecyltridecan-1-amine has a molecular weight of 465.90 g/mol, XLogP of 11.49, 27 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpentan-2-yl)-N-tridecyltridecan-1-amine is sourced from PubChem (CID 139722947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).