N-butyl-2-methyl-N-(2-methylpentadecan-2-yl)pentadecan-2-amine

C36H75N — CID 139722679

IUPACN-butyl-2-methyl-N-(2-methylpentadecan-2-yl)pentadecan-2-amine
SMILESCCCCCCCCCCCCCC(C)(C)N(CCCC)C(C)(C)CCCCCCCCCCCCC
InChIInChI=1S/C36H75N/c1-8-11-14-16-18-20-22-24-26-28-30-32-35(4,5)37(34-13-10-3)36(6,7)33-31-29-27-25-23-21-19-17-15-12-9-2/h8-34H2,1-7H3
InChIKeyNRCDTCNHKBZNFY-UHFFFAOYSA-N
MW522.00 g/mol
LogP13.05
Rot. Bonds29

About N-butyl-2-methyl-N-(2-methylpentadecan-2-yl)pentadecan-2-amine

N-butyl-2-methyl-N-(2-methylpentadecan-2-yl)pentadecan-2-amine (PubChem CID 139722679) has the molecular formula C36H75N and a molecular weight of 522.00 g/mol. Its IUPAC name is N-butyl-2-methyl-N-(2-methylpentadecan-2-yl)pentadecan-2-amine.

Molecular Properties

Compound NameN-butyl-2-methyl-N-(2-methylpentadecan-2-yl)pentadecan-2-amine
PubChem CID139722679
Molecular FormulaC36H75N
Molecular Weight522.00 g/mol
Exact Mass521.59
IUPAC NameN-butyl-2-methyl-N-(2-methylpentadecan-2-yl)pentadecan-2-amine
SMILESCCCCCCCCCCCCCC(C)(C)N(CCCC)C(C)(C)CCCCCCCCCCCCC
InChIInChI=1S/C36H75N/c1-8-11-14-16-18-20-22-24-26-28-30-32-35(4,5)37(34-13-10-3)36(6,7)33-31-29-27-25-23-21-19-17-15-12-9-2/h8-34H2,1-7H3
InChIKeyNRCDTCNHKBZNFY-UHFFFAOYSA-N
XLogP13.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds29
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.00
LogP ≤ 513.05
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

2-methyl-N-(2-methyltridecan-2-yl)-N-nonyltridecan-2-amine
CID 139723690
N,N-bis(2-methyldecan-2-yl)dodecan-1-amine
CID 139723612
N,N-bis(2-methyldecan-2-yl)tridecan-1-amine
CID 139723232
N,N-bis(2-methyloctan-2-yl)pentadecan-1-amine
CID 139723897
2-methyl-N-(2-methylundecan-2-yl)-N-nonylundecan-2-amine
CID 139723201
N-hexyl-2-methyl-N-(2-methylheptadecan-2-yl)heptadecan-2-amine
CID 139723065
N,N-bis(2-methylnonan-2-yl)heptadecan-1-amine
CID 139724071
2-methyl-N-(2-methylpentadecan-2-yl)-N-pentadecylpentadecan-2-amine
CID 139723389
N-dodecyl-2-methyl-N-(2-methylhexadecan-2-yl)hexadecan-2-amine
CID 139723367
N-ethyl-2-methyl-N-(2-methyldodecan-2-yl)dodecan-2-amine
CID 139723254
N-ethyl-2-methyl-N-(2-methyloctan-2-yl)octan-2-amine
CID 139724053
N,N-dibutyl-2-methyltridecan-2-amine
CID 139722589

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-methyl-N-(2-methylpentadecan-2-yl)pentadecan-2-amine?
The IUPAC name of N-butyl-2-methyl-N-(2-methylpentadecan-2-yl)pentadecan-2-amine (CID 139722679) is N-butyl-2-methyl-N-(2-methylpentadecan-2-yl)pentadecan-2-amine.
What is the SMILES notation for N-butyl-2-methyl-N-(2-methylpentadecan-2-yl)pentadecan-2-amine?
The canonical SMILES for N-butyl-2-methyl-N-(2-methylpentadecan-2-yl)pentadecan-2-amine is CCCCCCCCCCCCCC(C)(C)N(CCCC)C(C)(C)CCCCCCCCCCCCC.
What is the InChIKey of N-butyl-2-methyl-N-(2-methylpentadecan-2-yl)pentadecan-2-amine?
The InChIKey is NRCDTCNHKBZNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H75N/c1-8-11-14-16-18-20-22-24-26-28-30-32-35(4,5)37(34-13-10-3)36(6,7)33-31-29-27-25-23-21-19-17-15-12-9-2/h8-34H2,1-7H3.
What are the key properties of N-butyl-2-methyl-N-(2-methylpentadecan-2-yl)pentadecan-2-amine?
N-butyl-2-methyl-N-(2-methylpentadecan-2-yl)pentadecan-2-amine has a molecular weight of 522.00 g/mol, XLogP of 13.05, 29 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-methyl-N-(2-methylpentadecan-2-yl)pentadecan-2-amine is sourced from PubChem (CID 139722679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).