N,2,2-trimethyldecan-3-amine

C13H29N — CID 60996821

IUPACN,2,2-trimethyldecan-3-amine
SMILESCCCCCCCC(NC)C(C)(C)C
InChIInChI=1S/C13H29N/c1-6-7-8-9-10-11-12(14-5)13(2,3)4/h12,14H,6-11H2,1-5H3
InChIKeyCPODUYNDWWHKGW-UHFFFAOYSA-N
MW199.38 g/mol
LogP3.98
Rot. Bonds7

About N,2,2-trimethyldecan-3-amine

N,2,2-trimethyldecan-3-amine (PubChem CID 60996821) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is N,2,2-trimethyldecan-3-amine.

Molecular Properties

Compound NameN,2,2-trimethyldecan-3-amine
PubChem CID60996821
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC NameN,2,2-trimethyldecan-3-amine
SMILESCCCCCCCC(NC)C(C)(C)C
InChIInChI=1S/C13H29N/c1-6-7-8-9-10-11-12(14-5)13(2,3)4/h12,14H,6-11H2,1-5H3
InChIKeyCPODUYNDWWHKGW-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
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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Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyldecan-3-amine?
The IUPAC name of N,2,2-trimethyldecan-3-amine (CID 60996821) is N,2,2-trimethyldecan-3-amine.
What is the SMILES notation for N,2,2-trimethyldecan-3-amine?
The canonical SMILES for N,2,2-trimethyldecan-3-amine is CCCCCCCC(NC)C(C)(C)C.
What is the InChIKey of N,2,2-trimethyldecan-3-amine?
The InChIKey is CPODUYNDWWHKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N/c1-6-7-8-9-10-11-12(14-5)13(2,3)4/h12,14H,6-11H2,1-5H3.
What are the key properties of N,2,2-trimethyldecan-3-amine?
N,2,2-trimethyldecan-3-amine has a molecular weight of 199.38 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyldecan-3-amine is sourced from PubChem (CID 60996821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).