5-ethyl-2,9,10-trimethyl-8-methylidene-N-propan-2-ylundecan-4-amine

C20H41N — CID 90878934

IUPAC5-ethyl-2,9,10-trimethyl-8-methylidene-N-propan-2-ylundecan-4-amine
SMILESC=C(CCC(CC)C(CC(C)C)NC(C)C)C(C)C(C)C
InChIInChI=1S/C20H41N/c1-10-19(12-11-17(8)18(9)15(4)5)20(13-14(2)3)21-16(6)7/h14-16,18-21H,8,10-13H2,1-7,9H3
InChIKeyBPHYAPQTDMIKDV-UHFFFAOYSA-N
MW295.56 g/mol
LogP6.05
Rot. Bonds11

About 5-ethyl-2,9,10-trimethyl-8-methylidene-N-propan-2-ylundecan-4-amine

5-ethyl-2,9,10-trimethyl-8-methylidene-N-propan-2-ylundecan-4-amine (PubChem CID 90878934) has the molecular formula C20H41N and a molecular weight of 295.56 g/mol. Its IUPAC name is 5-ethyl-2,9,10-trimethyl-8-methylidene-N-propan-2-ylundecan-4-amine.

Molecular Properties

Compound Name5-ethyl-2,9,10-trimethyl-8-methylidene-N-propan-2-ylundecan-4-amine
PubChem CID90878934
Molecular FormulaC20H41N
Molecular Weight295.56 g/mol
Exact Mass295.32
IUPAC Name5-ethyl-2,9,10-trimethyl-8-methylidene-N-propan-2-ylundecan-4-amine
SMILESC=C(CCC(CC)C(CC(C)C)NC(C)C)C(C)C(C)C
InChIInChI=1S/C20H41N/c1-10-19(12-11-17(8)18(9)15(4)5)20(13-14(2)3)21-16(6)7/h14-16,18-21H,8,10-13H2,1-7,9H3
InChIKeyBPHYAPQTDMIKDV-UHFFFAOYSA-N
XLogP6.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.56
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-ethyl-2,9,10-trimethyl-8-methylidene-N-propan-2-ylundecan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(1R)-4-methylcyclohex-3-en-1-yl]-N-propan-2-ylbutan-1-amine
CID 46886826
N-[2-(cyclohexen-1-yl)ethyl]-1-cyclohexylpentan-2-amine
CID 172469915
2-fluoro-N-methyl-6-prop-1-en-2-ylcycloheptan-1-amine
CID 123961973
(E)-5-[(E)-2-fluoroprop-1-enyl]-N-[(Z)-hex-4-en-2-yl]-4-methylundec-9-en-1-amine
CID 135278063
N-[4-fluoro-4-methyl-2-(2-methylcyclopentyl)-3-propylhexyl]-6,8-dimethyldec-9-en-2-amine
CID 155055595
2-fluoro-3,11-dimethyl-N-(3-methylbut-1-en-2-yl)-10-methylidenedodecan-1-amine
CID 174252655
(3R)-4-fluoro-6,7,8-trimethyl-4-prop-1-en-2-yl-3-propylnonan-2-amine
CID 174293075
(2R,3S,5S,6R)-2-deca-3,4,9-trienyl-3,5-dimethyl-6-(2-methylprop-2-enyl)piperidine
CID 134951790
(E)-1-cyclohexyl-N,2-dipropylhex-2-en-1-amine
CID 134999587
4-cyclohexyl-2,6-dimethyl-N-prop-2-enylhepta-1,6-dien-4-amine
CID 135079228
N-ethyl-2-methylnon-8-en-3-amine
CID 64496500
3-methylidene-N-propyl-1-[2-(trifluoromethyl)cyclohexyl]pentan-1-amine
CID 105164053

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,9,10-trimethyl-8-methylidene-N-propan-2-ylundecan-4-amine?
The IUPAC name of 5-ethyl-2,9,10-trimethyl-8-methylidene-N-propan-2-ylundecan-4-amine (CID 90878934) is 5-ethyl-2,9,10-trimethyl-8-methylidene-N-propan-2-ylundecan-4-amine.
What is the SMILES notation for 5-ethyl-2,9,10-trimethyl-8-methylidene-N-propan-2-ylundecan-4-amine?
The canonical SMILES for 5-ethyl-2,9,10-trimethyl-8-methylidene-N-propan-2-ylundecan-4-amine is C=C(CCC(CC)C(CC(C)C)NC(C)C)C(C)C(C)C.
What is the InChIKey of 5-ethyl-2,9,10-trimethyl-8-methylidene-N-propan-2-ylundecan-4-amine?
The InChIKey is BPHYAPQTDMIKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N/c1-10-19(12-11-17(8)18(9)15(4)5)20(13-14(2)3)21-16(6)7/h14-16,18-21H,8,10-13H2,1-7,9H3.
What are the key properties of 5-ethyl-2,9,10-trimethyl-8-methylidene-N-propan-2-ylundecan-4-amine?
5-ethyl-2,9,10-trimethyl-8-methylidene-N-propan-2-ylundecan-4-amine has a molecular weight of 295.56 g/mol, XLogP of 6.05, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,9,10-trimethyl-8-methylidene-N-propan-2-ylundecan-4-amine is sourced from PubChem (CID 90878934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).