N,3,3-trimethyldecan-1-amine

C13H29N — CID 81022297

IUPACN,3,3-trimethyldecan-1-amine
SMILESCCCCCCCC(C)(C)CCNC
InChIInChI=1S/C13H29N/c1-5-6-7-8-9-10-13(2,3)11-12-14-4/h14H,5-12H2,1-4H3
InChIKeyKBFHVNMGVHGPNL-UHFFFAOYSA-N
MW199.38 g/mol
LogP3.98
Rot. Bonds9

About N,3,3-trimethyldecan-1-amine

N,3,3-trimethyldecan-1-amine (PubChem CID 81022297) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is N,3,3-trimethyldecan-1-amine.

Molecular Properties

Compound NameN,3,3-trimethyldecan-1-amine
PubChem CID81022297
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC NameN,3,3-trimethyldecan-1-amine
SMILESCCCCCCCC(C)(C)CCNC
InChIInChI=1S/C13H29N/c1-5-6-7-8-9-10-13(2,3)11-12-14-4/h14H,5-12H2,1-4H3
InChIKeyKBFHVNMGVHGPNL-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 53.98
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,3,3-trimethylpentadecan-1-amine
CID 81023479
16,16,21,21-tetramethylhexatriacontane
CID 174880889
N,6,6-trimethylnonan-1-amine
CID 118650446
3,3-dimethyl-N-propyldodecan-1-amine
CID 81022998
N,2,2-trimethyloctan-1-amine
CID 62723717
1-N,3-dimethylhenicosane-1,3-diamine
CID 175200070
3,3-dimethylpentadecan-1-amine
CID 81014127
N-ethyl-5,5-dimethyldodecan-1-amine
CID 139313220
3-methyl-1-(methylamino)pentadecane-3-sulfonic acid
CID 141244071
4,4-dimethyltridecan-1-amine
CID 172686024
3,3-dimethylpentadecane
CID 86034940
3,3-dimethyldodecane
CID 15930786

Frequently Asked Questions

What is the IUPAC name of N,3,3-trimethyldecan-1-amine?
The IUPAC name of N,3,3-trimethyldecan-1-amine (CID 81022297) is N,3,3-trimethyldecan-1-amine.
What is the SMILES notation for N,3,3-trimethyldecan-1-amine?
The canonical SMILES for N,3,3-trimethyldecan-1-amine is CCCCCCCC(C)(C)CCNC.
What is the InChIKey of N,3,3-trimethyldecan-1-amine?
The InChIKey is KBFHVNMGVHGPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N/c1-5-6-7-8-9-10-13(2,3)11-12-14-4/h14H,5-12H2,1-4H3.
What are the key properties of N,3,3-trimethyldecan-1-amine?
N,3,3-trimethyldecan-1-amine has a molecular weight of 199.38 g/mol, XLogP of 3.98, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3-trimethyldecan-1-amine is sourced from PubChem (CID 81022297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).