N,2,2-trimethyl-4-methylideneoctan-1-amine

C12H25N — CID 175614225

IUPACN,2,2-trimethyl-4-methylideneoctan-1-amine
SMILESC=C(CCCC)CC(C)(C)CNC
InChIInChI=1S/C12H25N/c1-6-7-8-11(2)9-12(3,4)10-13-5/h13H,2,6-10H2,1,3-5H3
InChIKeyABRYDNUZMCNANF-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.37
Rot. Bonds7

About N,2,2-trimethyl-4-methylideneoctan-1-amine

N,2,2-trimethyl-4-methylideneoctan-1-amine (PubChem CID 175614225) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is N,2,2-trimethyl-4-methylideneoctan-1-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-4-methylideneoctan-1-amine
PubChem CID175614225
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC NameN,2,2-trimethyl-4-methylideneoctan-1-amine
SMILESC=C(CCCC)CC(C)(C)CNC
InChIInChI=1S/C12H25N/c1-6-7-8-11(2)9-12(3,4)10-13-5/h13H,2,6-10H2,1,3-5H3
InChIKeyABRYDNUZMCNANF-UHFFFAOYSA-N
XLogP3.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-4-methylideneoctan-1-amine?
The IUPAC name of N,2,2-trimethyl-4-methylideneoctan-1-amine (CID 175614225) is N,2,2-trimethyl-4-methylideneoctan-1-amine.
What is the SMILES notation for N,2,2-trimethyl-4-methylideneoctan-1-amine?
The canonical SMILES for N,2,2-trimethyl-4-methylideneoctan-1-amine is C=C(CCCC)CC(C)(C)CNC.
What is the InChIKey of N,2,2-trimethyl-4-methylideneoctan-1-amine?
The InChIKey is ABRYDNUZMCNANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-6-7-8-11(2)9-12(3,4)10-13-5/h13H,2,6-10H2,1,3-5H3.
What are the key properties of N,2,2-trimethyl-4-methylideneoctan-1-amine?
N,2,2-trimethyl-4-methylideneoctan-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-4-methylideneoctan-1-amine is sourced from PubChem (CID 175614225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).