N-methyltriacontan-1-amine

C31H65N — CID 19840895

IUPACN-methyltriacontan-1-amine
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCNC
InChIInChI=1S/C31H65N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-2/h32H,3-31H2,1-2H3
InChIKeyYLTWZZUGCUQDHF-UHFFFAOYSA-N
MW451.87 g/mol
LogP11.15
Rot. Bonds29

About N-methyltriacontan-1-amine

N-methyltriacontan-1-amine (PubChem CID 19840895) has the molecular formula C31H65N and a molecular weight of 451.87 g/mol. Its IUPAC name is N-methyltriacontan-1-amine.

Molecular Properties

Compound NameN-methyltriacontan-1-amine
PubChem CID19840895
Molecular FormulaC31H65N
Molecular Weight451.87 g/mol
Exact Mass451.51
IUPAC NameN-methyltriacontan-1-amine
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCNC
InChIInChI=1S/C31H65N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-2/h32H,3-31H2,1-2H3
InChIKeyYLTWZZUGCUQDHF-UHFFFAOYSA-N
XLogP11.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds29
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.87
LogP ≤ 511.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methyltridecan-1-amine;molecular hydrogen
CID 153363446
N-methylheptan-1-amine;molecular hydrogen;propane
CID 144955567
hydroxylamine;N-methyloctan-1-amine
CID 144676839
N'-dodecyl-N-methylpropane-1,3-diamine
CID 19812622
N'-hexadecyl-N-methylpropane-1,3-diamine
CID 46736042
N-methyloctan-1-amine;propan-1-ol
CID 88540071
1-chloropentane;N-methyloctan-1-amine
CID 174674151
N-methylbutan-1-amine
CID 8068
dihydroxy(oxo)phosphanium;N-methyloctadecan-1-amine
CID 19904990
4-(6-hexoxyhexoxy)-N-methylbutan-1-amine
CID 164959438
tris(N-methyldodecan-1-amine);phosphoric acid
CID 175134049
N,N'-dimethyl-N'-tetradecylbutane-1,4-diamine
CID 139950987

Frequently Asked Questions

What is the IUPAC name of N-methyltriacontan-1-amine?
The IUPAC name of N-methyltriacontan-1-amine (CID 19840895) is N-methyltriacontan-1-amine.
What is the SMILES notation for N-methyltriacontan-1-amine?
The canonical SMILES for N-methyltriacontan-1-amine is CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCNC.
What is the InChIKey of N-methyltriacontan-1-amine?
The InChIKey is YLTWZZUGCUQDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H65N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-2/h32H,3-31H2,1-2H3.
What are the key properties of N-methyltriacontan-1-amine?
N-methyltriacontan-1-amine has a molecular weight of 451.87 g/mol, XLogP of 11.15, 29 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyltriacontan-1-amine is sourced from PubChem (CID 19840895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).