N-methyl-2-methylidenedecan-1-amine

C12H25N — CID 126493414

IUPACN-methyl-2-methylidenedecan-1-amine
SMILESC=C(CCCCCCCC)CNC
InChIInChI=1S/C12H25N/c1-4-5-6-7-8-9-10-12(2)11-13-3/h13H,2,4-11H2,1,3H3
InChIKeyJMLRBOZJQKSTQR-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.51
Rot. Bonds9

About N-methyl-2-methylidenedecan-1-amine

N-methyl-2-methylidenedecan-1-amine (PubChem CID 126493414) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is N-methyl-2-methylidenedecan-1-amine.

Molecular Properties

Compound NameN-methyl-2-methylidenedecan-1-amine
PubChem CID126493414
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC NameN-methyl-2-methylidenedecan-1-amine
SMILESC=C(CCCCCCCC)CNC
InChIInChI=1S/C12H25N/c1-4-5-6-7-8-9-10-12(2)11-13-3/h13H,2,4-11H2,1,3H3
InChIKeyJMLRBOZJQKSTQR-UHFFFAOYSA-N
XLogP3.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
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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Related Compounds

6-methylidenedodecane
CID 21453027
6-methylidenetetradecane
CID 21477883
19-methylideneheptatriacontane;titanium
CID 174477367
4-methylidenenonadecane
CID 139983203
4-methylidenetricosane
CID 139983205
3-methylidenedecane
CID 21453024
3,8-dimethylidenetetradecane
CID 173410299
2-methylidenepentadecan-1-ol
CID 10847661
8-methylidene-N-octyloctadecan-1-amine
CID 153397444
N-methyloct-1-en-2-amine
CID 129196255
3-methylidenetetradecanoic acid
CID 89137857
[2-(methylamino)acetyl] octadecanoate
CID 57485427

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-methylidenedecan-1-amine?
The IUPAC name of N-methyl-2-methylidenedecan-1-amine (CID 126493414) is N-methyl-2-methylidenedecan-1-amine.
What is the SMILES notation for N-methyl-2-methylidenedecan-1-amine?
The canonical SMILES for N-methyl-2-methylidenedecan-1-amine is C=C(CCCCCCCC)CNC.
What is the InChIKey of N-methyl-2-methylidenedecan-1-amine?
The InChIKey is JMLRBOZJQKSTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-4-5-6-7-8-9-10-12(2)11-13-3/h13H,2,4-11H2,1,3H3.
What are the key properties of N-methyl-2-methylidenedecan-1-amine?
N-methyl-2-methylidenedecan-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.51, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-methylidenedecan-1-amine is sourced from PubChem (CID 126493414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).