N,N-bis(2-methyldecan-2-yl)tridecan-1-amine

C35H73N — CID 139723232

IUPACN,N-bis(2-methyldecan-2-yl)tridecan-1-amine
SMILESCCCCCCCCCCCCCN(C(C)(C)CCCCCCCC)C(C)(C)CCCCCCCC
InChIInChI=1S/C35H73N/c1-8-11-14-17-20-21-22-23-24-27-30-33-36(34(4,5)31-28-25-18-15-12-9-2)35(6,7)32-29-26-19-16-13-10-3/h8-33H2,1-7H3
InChIKeyRDIBNKVVPHHJIA-UHFFFAOYSA-N
MW507.98 g/mol
LogP12.66
Rot. Bonds28

About N,N-bis(2-methyldecan-2-yl)tridecan-1-amine

N,N-bis(2-methyldecan-2-yl)tridecan-1-amine (PubChem CID 139723232) has the molecular formula C35H73N and a molecular weight of 507.98 g/mol. Its IUPAC name is N,N-bis(2-methyldecan-2-yl)tridecan-1-amine.

Molecular Properties

Compound NameN,N-bis(2-methyldecan-2-yl)tridecan-1-amine
PubChem CID139723232
Molecular FormulaC35H73N
Molecular Weight507.98 g/mol
Exact Mass507.57
IUPAC NameN,N-bis(2-methyldecan-2-yl)tridecan-1-amine
SMILESCCCCCCCCCCCCCN(C(C)(C)CCCCCCCC)C(C)(C)CCCCCCCC
InChIInChI=1S/C35H73N/c1-8-11-14-17-20-21-22-23-24-27-30-33-36(34(4,5)31-28-25-18-15-12-9-2)35(6,7)32-29-26-19-16-13-10-3/h8-33H2,1-7H3
InChIKeyRDIBNKVVPHHJIA-UHFFFAOYSA-N
XLogP12.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds28
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.98
LogP ≤ 512.66
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-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-butyl-2-methyl-N-(2-methylpentadecan-2-yl)pentadecan-2-amine
CID 139722679
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
2-methyl-N,N-dipentyltetradecan-2-amine
CID 139724044

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methyldecan-2-yl)tridecan-1-amine?
The IUPAC name of N,N-bis(2-methyldecan-2-yl)tridecan-1-amine (CID 139723232) is N,N-bis(2-methyldecan-2-yl)tridecan-1-amine.
What is the SMILES notation for N,N-bis(2-methyldecan-2-yl)tridecan-1-amine?
The canonical SMILES for N,N-bis(2-methyldecan-2-yl)tridecan-1-amine is CCCCCCCCCCCCCN(C(C)(C)CCCCCCCC)C(C)(C)CCCCCCCC.
What is the InChIKey of N,N-bis(2-methyldecan-2-yl)tridecan-1-amine?
The InChIKey is RDIBNKVVPHHJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H73N/c1-8-11-14-17-20-21-22-23-24-27-30-33-36(34(4,5)31-28-25-18-15-12-9-2)35(6,7)32-29-26-19-16-13-10-3/h8-33H2,1-7H3.
What are the key properties of N,N-bis(2-methyldecan-2-yl)tridecan-1-amine?
N,N-bis(2-methyldecan-2-yl)tridecan-1-amine has a molecular weight of 507.98 g/mol, XLogP of 12.66, 28 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methyldecan-2-yl)tridecan-1-amine is sourced from PubChem (CID 139723232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).