N-propan-2-yldec-1-en-2-amine

C13H27N — CID 166755614

IUPACN-propan-2-yldec-1-en-2-amine
SMILESC=C(CCCCCCCC)NC(C)C
InChIInChI=1S/C13H27N/c1-5-6-7-8-9-10-11-13(4)14-12(2)3/h12,14H,4-11H2,1-3H3
InChIKeyXDVDXKOAFMZANN-UHFFFAOYSA-N
MW197.37 g/mol
LogP4.25
Rot. Bonds9

About N-propan-2-yldec-1-en-2-amine

N-propan-2-yldec-1-en-2-amine (PubChem CID 166755614) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is N-propan-2-yldec-1-en-2-amine.

Molecular Properties

Compound NameN-propan-2-yldec-1-en-2-amine
PubChem CID166755614
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC NameN-propan-2-yldec-1-en-2-amine
SMILESC=C(CCCCCCCC)NC(C)C
InChIInChI=1S/C13H27N/c1-5-6-7-8-9-10-11-13(4)14-12(2)3/h12,14H,4-11H2,1-3H3
InChIKeyXDVDXKOAFMZANN-UHFFFAOYSA-N
XLogP4.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 54.25
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

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yldec-1-en-2-amine?
The IUPAC name of N-propan-2-yldec-1-en-2-amine (CID 166755614) is N-propan-2-yldec-1-en-2-amine.
What is the SMILES notation for N-propan-2-yldec-1-en-2-amine?
The canonical SMILES for N-propan-2-yldec-1-en-2-amine is C=C(CCCCCCCC)NC(C)C.
What is the InChIKey of N-propan-2-yldec-1-en-2-amine?
The InChIKey is XDVDXKOAFMZANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-5-6-7-8-9-10-11-13(4)14-12(2)3/h12,14H,4-11H2,1-3H3.
What are the key properties of N-propan-2-yldec-1-en-2-amine?
N-propan-2-yldec-1-en-2-amine has a molecular weight of 197.37 g/mol, XLogP of 4.25, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yldec-1-en-2-amine is sourced from PubChem (CID 166755614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).