3-butan-2-yl-N-(4-ethyl-2-methylhex-5-en-2-yl)-N,2,2-trimethylcyclopropan-1-amine

C19H37N — CID 129252687

IUPAC3-butan-2-yl-N-(4-ethyl-2-methylhex-5-en-2-yl)-N,2,2-trimethylcyclopropan-1-amine
SMILESC=CC(CC)CC(C)(C)N(C)C1C(C(C)CC)C1(C)C
InChIInChI=1S/C19H37N/c1-10-14(4)16-17(19(16,7)8)20(9)18(5,6)13-15(11-2)12-3/h11,14-17H,2,10,12-13H2,1,3-9H3
InChIKeyQGPWHXHSDDGWEL-UHFFFAOYSA-N
MW279.51 g/mol
LogP5.37
Rot. Bonds8

About 3-butan-2-yl-N-(4-ethyl-2-methylhex-5-en-2-yl)-N,2,2-trimethylcyclopropan-1-amine

3-butan-2-yl-N-(4-ethyl-2-methylhex-5-en-2-yl)-N,2,2-trimethylcyclopropan-1-amine (PubChem CID 129252687) has the molecular formula C19H37N and a molecular weight of 279.51 g/mol. Its IUPAC name is 3-butan-2-yl-N-(4-ethyl-2-methylhex-5-en-2-yl)-N,2,2-trimethylcyclopropan-1-amine.

Molecular Properties

Compound Name3-butan-2-yl-N-(4-ethyl-2-methylhex-5-en-2-yl)-N,2,2-trimethylcyclopropan-1-amine
PubChem CID129252687
Molecular FormulaC19H37N
Molecular Weight279.51 g/mol
Exact Mass279.29
IUPAC Name3-butan-2-yl-N-(4-ethyl-2-methylhex-5-en-2-yl)-N,2,2-trimethylcyclopropan-1-amine
SMILESC=CC(CC)CC(C)(C)N(C)C1C(C(C)CC)C1(C)C
InChIInChI=1S/C19H37N/c1-10-14(4)16-17(19(16,7)8)20(9)18(5,6)13-15(11-2)12-3/h11,14-17H,2,10,12-13H2,1,3-9H3
InChIKeyQGPWHXHSDDGWEL-UHFFFAOYSA-N
XLogP5.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.51
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-butan-2-yl-N-(4-ethyl-2-methylhex-5-en-2-yl)-N,2,2-trimethylcyclopropan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

2-butan-2-yl-1-methyl-1-(2-methylbut-3-en-2-yl)cyclopropane
CID 123282497
3-ethyl-4,4,5-trimethylhex-1-ene
CID 22107331
N-[(E)-2-ethyl-5,5-dimethylhex-3-enyl]-N-methylprop-2-enamide
CID 171093206
carbonic acid;2-ethylbut-3-en-1-ol
CID 159522260
5-ethylhepta-2,6-dienoic acid
CID 91381848
3-ethylhept-1-ene
CID 12923943
3-(methoxymethyl)pent-1-ene
CID 54004268
(3R)-3-ethylpent-4-en-1-amine
CID 122576147
4-ethenyl-3,5-dimethylheptane
CID 90755259
2,3-di(butan-2-yl)cyclopropan-1-amine
CID 123532822
tert-butyl-(2-ethylbut-3-enoxy)-dimethylsilane
CID 86646162
3,6,9-triethyl-7,8-dimethylundec-1-ene
CID 123629227

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-N-(4-ethyl-2-methylhex-5-en-2-yl)-N,2,2-trimethylcyclopropan-1-amine?
The IUPAC name of 3-butan-2-yl-N-(4-ethyl-2-methylhex-5-en-2-yl)-N,2,2-trimethylcyclopropan-1-amine (CID 129252687) is 3-butan-2-yl-N-(4-ethyl-2-methylhex-5-en-2-yl)-N,2,2-trimethylcyclopropan-1-amine.
What is the SMILES notation for 3-butan-2-yl-N-(4-ethyl-2-methylhex-5-en-2-yl)-N,2,2-trimethylcyclopropan-1-amine?
The canonical SMILES for 3-butan-2-yl-N-(4-ethyl-2-methylhex-5-en-2-yl)-N,2,2-trimethylcyclopropan-1-amine is C=CC(CC)CC(C)(C)N(C)C1C(C(C)CC)C1(C)C.
What is the InChIKey of 3-butan-2-yl-N-(4-ethyl-2-methylhex-5-en-2-yl)-N,2,2-trimethylcyclopropan-1-amine?
The InChIKey is QGPWHXHSDDGWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N/c1-10-14(4)16-17(19(16,7)8)20(9)18(5,6)13-15(11-2)12-3/h11,14-17H,2,10,12-13H2,1,3-9H3.
What are the key properties of 3-butan-2-yl-N-(4-ethyl-2-methylhex-5-en-2-yl)-N,2,2-trimethylcyclopropan-1-amine?
3-butan-2-yl-N-(4-ethyl-2-methylhex-5-en-2-yl)-N,2,2-trimethylcyclopropan-1-amine has a molecular weight of 279.51 g/mol, XLogP of 5.37, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-N-(4-ethyl-2-methylhex-5-en-2-yl)-N,2,2-trimethylcyclopropan-1-amine is sourced from PubChem (CID 129252687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).