N-ethyl-2-methylidene-N-(2-methylidenebutyl)butan-1-amine

C12H23N — CID 21496892

IUPACN-ethyl-2-methylidene-N-(2-methylidenebutyl)butan-1-amine
SMILESC=C(CC)CN(CC)CC(=C)CC
InChIInChI=1S/C12H23N/c1-6-11(4)9-13(8-3)10-12(5)7-2/h4-10H2,1-3H3
InChIKeyMNGGRPYIXGMIHB-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.24
Rot. Bonds7

About N-ethyl-2-methylidene-N-(2-methylidenebutyl)butan-1-amine

N-ethyl-2-methylidene-N-(2-methylidenebutyl)butan-1-amine (PubChem CID 21496892) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N-ethyl-2-methylidene-N-(2-methylidenebutyl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methylidene-N-(2-methylidenebutyl)butan-1-amine
PubChem CID21496892
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN-ethyl-2-methylidene-N-(2-methylidenebutyl)butan-1-amine
SMILESC=C(CC)CN(CC)CC(=C)CC
InChIInChI=1S/C12H23N/c1-6-11(4)9-13(8-3)10-12(5)7-2/h4-10H2,1-3H3
InChIKeyMNGGRPYIXGMIHB-UHFFFAOYSA-N
XLogP3.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.24
H-Bond Donors ≤ 50
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-ethyl-2-methylidene-N-(2-methylidenebutyl)butan-1-amine?
The IUPAC name of N-ethyl-2-methylidene-N-(2-methylidenebutyl)butan-1-amine (CID 21496892) is N-ethyl-2-methylidene-N-(2-methylidenebutyl)butan-1-amine.
What is the SMILES notation for N-ethyl-2-methylidene-N-(2-methylidenebutyl)butan-1-amine?
The canonical SMILES for N-ethyl-2-methylidene-N-(2-methylidenebutyl)butan-1-amine is C=C(CC)CN(CC)CC(=C)CC.
What is the InChIKey of N-ethyl-2-methylidene-N-(2-methylidenebutyl)butan-1-amine?
The InChIKey is MNGGRPYIXGMIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-6-11(4)9-13(8-3)10-12(5)7-2/h4-10H2,1-3H3.
What are the key properties of N-ethyl-2-methylidene-N-(2-methylidenebutyl)butan-1-amine?
N-ethyl-2-methylidene-N-(2-methylidenebutyl)butan-1-amine has a molecular weight of 181.32 g/mol, XLogP of 3.24, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methylidene-N-(2-methylidenebutyl)butan-1-amine is sourced from PubChem (CID 21496892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).