N-(2-ethylbutyl)-4,4-dimethyl-6-(2-methylpropylideneamino)hex-1-en-2-amine

C18H36N2 — CID 167017649

IUPACN-(2-ethylbutyl)-4,4-dimethyl-6-(2-methylpropylideneamino)hex-1-en-2-amine
SMILESC=C(CC(C)(C)CC/N=C/C(C)C)NCC(CC)CC
InChIInChI=1S/C18H36N2/c1-8-17(9-2)14-20-16(5)12-18(6,7)10-11-19-13-15(3)4/h13,15,17,20H,5,8-12,14H2,1-4,6-7H3/b19-13+
InChIKeyMORMQNQWJOMCQQ-CPNJWEJPSA-N
MW280.50 g/mol
LogP5.06
Rot. Bonds11

About N-(2-ethylbutyl)-4,4-dimethyl-6-(2-methylpropylideneamino)hex-1-en-2-amine

N-(2-ethylbutyl)-4,4-dimethyl-6-(2-methylpropylideneamino)hex-1-en-2-amine (PubChem CID 167017649) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is N-(2-ethylbutyl)-4,4-dimethyl-6-(2-methylpropylideneamino)hex-1-en-2-amine.

Molecular Properties

Compound NameN-(2-ethylbutyl)-4,4-dimethyl-6-(2-methylpropylideneamino)hex-1-en-2-amine
PubChem CID167017649
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC NameN-(2-ethylbutyl)-4,4-dimethyl-6-(2-methylpropylideneamino)hex-1-en-2-amine
SMILESC=C(CC(C)(C)CC/N=C/C(C)C)NCC(CC)CC
InChIInChI=1S/C18H36N2/c1-8-17(9-2)14-20-16(5)12-18(6,7)10-11-19-13-15(3)4/h13,15,17,20H,5,8-12,14H2,1-4,6-7H3/b19-13+
InChIKeyMORMQNQWJOMCQQ-CPNJWEJPSA-N
XLogP5.06
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.50
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbutyl)-4,4-dimethyl-6-(2-methylpropylideneamino)hex-1-en-2-amine?
The IUPAC name of N-(2-ethylbutyl)-4,4-dimethyl-6-(2-methylpropylideneamino)hex-1-en-2-amine (CID 167017649) is N-(2-ethylbutyl)-4,4-dimethyl-6-(2-methylpropylideneamino)hex-1-en-2-amine.
What is the SMILES notation for N-(2-ethylbutyl)-4,4-dimethyl-6-(2-methylpropylideneamino)hex-1-en-2-amine?
The canonical SMILES for N-(2-ethylbutyl)-4,4-dimethyl-6-(2-methylpropylideneamino)hex-1-en-2-amine is C=C(CC(C)(C)CC/N=C/C(C)C)NCC(CC)CC.
What is the InChIKey of N-(2-ethylbutyl)-4,4-dimethyl-6-(2-methylpropylideneamino)hex-1-en-2-amine?
The InChIKey is MORMQNQWJOMCQQ-CPNJWEJPSA-N. The full InChI is InChI=1S/C18H36N2/c1-8-17(9-2)14-20-16(5)12-18(6,7)10-11-19-13-15(3)4/h13,15,17,20H,5,8-12,14H2,1-4,6-7H3/b19-13+.
What are the key properties of N-(2-ethylbutyl)-4,4-dimethyl-6-(2-methylpropylideneamino)hex-1-en-2-amine?
N-(2-ethylbutyl)-4,4-dimethyl-6-(2-methylpropylideneamino)hex-1-en-2-amine has a molecular weight of 280.50 g/mol, XLogP of 5.06, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbutyl)-4,4-dimethyl-6-(2-methylpropylideneamino)hex-1-en-2-amine is sourced from PubChem (CID 167017649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).