N-(2,3-dimethylbutan-2-yl)-2,4-dimethyl-N-[(3E)-penta-1,3-dien-2-yl]pentan-2-amine

C18H35N — CID 166671404

IUPACN-(2,3-dimethylbutan-2-yl)-2,4-dimethyl-N-[(3E)-penta-1,3-dien-2-yl]pentan-2-amine
SMILESC=C(/C=C/C)N(C(C)(C)CC(C)C)C(C)(C)C(C)C
InChIInChI=1S/C18H35N/c1-11-12-16(6)19(18(9,10)15(4)5)17(7,8)13-14(2)3/h11-12,14-15H,6,13H2,1-5,7-10H3/b12-11+
InChIKeyHRCLBVYUKFLGSV-VAWYXSNFSA-N
MW265.48 g/mol
LogP5.64
Rot. Bonds7

About N-(2,3-dimethylbutan-2-yl)-2,4-dimethyl-N-[(3E)-penta-1,3-dien-2-yl]pentan-2-amine

N-(2,3-dimethylbutan-2-yl)-2,4-dimethyl-N-[(3E)-penta-1,3-dien-2-yl]pentan-2-amine (PubChem CID 166671404) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is N-(2,3-dimethylbutan-2-yl)-2,4-dimethyl-N-[(3E)-penta-1,3-dien-2-yl]pentan-2-amine.

Molecular Properties

Compound NameN-(2,3-dimethylbutan-2-yl)-2,4-dimethyl-N-[(3E)-penta-1,3-dien-2-yl]pentan-2-amine
PubChem CID166671404
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC NameN-(2,3-dimethylbutan-2-yl)-2,4-dimethyl-N-[(3E)-penta-1,3-dien-2-yl]pentan-2-amine
SMILESC=C(/C=C/C)N(C(C)(C)CC(C)C)C(C)(C)C(C)C
InChIInChI=1S/C18H35N/c1-11-12-16(6)19(18(9,10)15(4)5)17(7,8)13-14(2)3/h11-12,14-15H,6,13H2,1-5,7-10H3/b12-11+
InChIKeyHRCLBVYUKFLGSV-VAWYXSNFSA-N
XLogP5.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.48
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2,3-dimethylbutan-2-yl)-2,4-dimethyl-N-[(3E)-penta-1,3-dien-2-yl]pentan-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylbutan-2-yl)-2,4-dimethyl-N-[(3E)-penta-1,3-dien-2-yl]pentan-2-amine?
The IUPAC name of N-(2,3-dimethylbutan-2-yl)-2,4-dimethyl-N-[(3E)-penta-1,3-dien-2-yl]pentan-2-amine (CID 166671404) is N-(2,3-dimethylbutan-2-yl)-2,4-dimethyl-N-[(3E)-penta-1,3-dien-2-yl]pentan-2-amine.
What is the SMILES notation for N-(2,3-dimethylbutan-2-yl)-2,4-dimethyl-N-[(3E)-penta-1,3-dien-2-yl]pentan-2-amine?
The canonical SMILES for N-(2,3-dimethylbutan-2-yl)-2,4-dimethyl-N-[(3E)-penta-1,3-dien-2-yl]pentan-2-amine is C=C(/C=C/C)N(C(C)(C)CC(C)C)C(C)(C)C(C)C.
What is the InChIKey of N-(2,3-dimethylbutan-2-yl)-2,4-dimethyl-N-[(3E)-penta-1,3-dien-2-yl]pentan-2-amine?
The InChIKey is HRCLBVYUKFLGSV-VAWYXSNFSA-N. The full InChI is InChI=1S/C18H35N/c1-11-12-16(6)19(18(9,10)15(4)5)17(7,8)13-14(2)3/h11-12,14-15H,6,13H2,1-5,7-10H3/b12-11+.
What are the key properties of N-(2,3-dimethylbutan-2-yl)-2,4-dimethyl-N-[(3E)-penta-1,3-dien-2-yl]pentan-2-amine?
N-(2,3-dimethylbutan-2-yl)-2,4-dimethyl-N-[(3E)-penta-1,3-dien-2-yl]pentan-2-amine has a molecular weight of 265.48 g/mol, XLogP of 5.64, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylbutan-2-yl)-2,4-dimethyl-N-[(3E)-penta-1,3-dien-2-yl]pentan-2-amine is sourced from PubChem (CID 166671404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).