N-methylundec-10-en-1-amine

C12H25N — CID 13163185

IUPACN-methylundec-10-en-1-amine
SMILESC=CCCCCCCCCCNC
InChIInChI=1S/C12H25N/c1-3-4-5-6-7-8-9-10-11-12-13-2/h3,13H,1,4-12H2,2H3
InChIKeyYLYRGVYIDNDEKN-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.51
Rot. Bonds10

About N-methylundec-10-en-1-amine

N-methylundec-10-en-1-amine (PubChem CID 13163185) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is N-methylundec-10-en-1-amine.

Molecular Properties

Compound NameN-methylundec-10-en-1-amine
PubChem CID13163185
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC NameN-methylundec-10-en-1-amine
SMILESC=CCCCCCCCCCNC
InChIInChI=1S/C12H25N/c1-3-4-5-6-7-8-9-10-11-12-13-2/h3,13H,1,4-12H2,2H3
InChIKeyYLYRGVYIDNDEKN-UHFFFAOYSA-N
XLogP3.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methylundec-10-en-1-amine?
The IUPAC name of N-methylundec-10-en-1-amine (CID 13163185) is N-methylundec-10-en-1-amine.
What is the SMILES notation for N-methylundec-10-en-1-amine?
The canonical SMILES for N-methylundec-10-en-1-amine is C=CCCCCCCCCCNC.
What is the InChIKey of N-methylundec-10-en-1-amine?
The InChIKey is YLYRGVYIDNDEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-3-4-5-6-7-8-9-10-11-12-13-2/h3,13H,1,4-12H2,2H3.
What are the key properties of N-methylundec-10-en-1-amine?
N-methylundec-10-en-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.51, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylundec-10-en-1-amine is sourced from PubChem (CID 13163185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).