N-[1-(2-butylcyclopropyl)ethyl]-3-ethyl-2,5-dimethylhex-4-en-2-amine

C19H37N — CID 123722452

IUPACN-[1-(2-butylcyclopropyl)ethyl]-3-ethyl-2,5-dimethylhex-4-en-2-amine
SMILESCCCCC1CC1C(C)NC(C)(C)C(C=C(C)C)CC
InChIInChI=1S/C19H37N/c1-8-10-11-16-13-18(16)15(5)20-19(6,7)17(9-2)12-14(3)4/h12,15-18,20H,8-11,13H2,1-7H3
InChIKeyDWFNFPTVJHZXOI-UHFFFAOYSA-N
MW279.51 g/mol
LogP5.56
Rot. Bonds9

About N-[1-(2-butylcyclopropyl)ethyl]-3-ethyl-2,5-dimethylhex-4-en-2-amine

N-[1-(2-butylcyclopropyl)ethyl]-3-ethyl-2,5-dimethylhex-4-en-2-amine (PubChem CID 123722452) has the molecular formula C19H37N and a molecular weight of 279.51 g/mol. Its IUPAC name is N-[1-(2-butylcyclopropyl)ethyl]-3-ethyl-2,5-dimethylhex-4-en-2-amine.

Molecular Properties

Compound NameN-[1-(2-butylcyclopropyl)ethyl]-3-ethyl-2,5-dimethylhex-4-en-2-amine
PubChem CID123722452
Molecular FormulaC19H37N
Molecular Weight279.51 g/mol
Exact Mass279.29
IUPAC NameN-[1-(2-butylcyclopropyl)ethyl]-3-ethyl-2,5-dimethylhex-4-en-2-amine
SMILESCCCCC1CC1C(C)NC(C)(C)C(C=C(C)C)CC
InChIInChI=1S/C19H37N/c1-8-10-11-16-13-18(16)15(5)20-19(6,7)17(9-2)12-14(3)4/h12,15-18,20H,8-11,13H2,1-7H3
InChIKeyDWFNFPTVJHZXOI-UHFFFAOYSA-N
XLogP5.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.51
LogP ≤ 55.56
H-Bond Donors ≤ 51
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-[1-(2-butylcyclopropyl)ethyl]-3-ethyl-2,5-dimethylhex-4-en-2-amine?
The IUPAC name of N-[1-(2-butylcyclopropyl)ethyl]-3-ethyl-2,5-dimethylhex-4-en-2-amine (CID 123722452) is N-[1-(2-butylcyclopropyl)ethyl]-3-ethyl-2,5-dimethylhex-4-en-2-amine.
What is the SMILES notation for N-[1-(2-butylcyclopropyl)ethyl]-3-ethyl-2,5-dimethylhex-4-en-2-amine?
The canonical SMILES for N-[1-(2-butylcyclopropyl)ethyl]-3-ethyl-2,5-dimethylhex-4-en-2-amine is CCCCC1CC1C(C)NC(C)(C)C(C=C(C)C)CC.
What is the InChIKey of N-[1-(2-butylcyclopropyl)ethyl]-3-ethyl-2,5-dimethylhex-4-en-2-amine?
The InChIKey is DWFNFPTVJHZXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N/c1-8-10-11-16-13-18(16)15(5)20-19(6,7)17(9-2)12-14(3)4/h12,15-18,20H,8-11,13H2,1-7H3.
What are the key properties of N-[1-(2-butylcyclopropyl)ethyl]-3-ethyl-2,5-dimethylhex-4-en-2-amine?
N-[1-(2-butylcyclopropyl)ethyl]-3-ethyl-2,5-dimethylhex-4-en-2-amine has a molecular weight of 279.51 g/mol, XLogP of 5.56, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-butylcyclopropyl)ethyl]-3-ethyl-2,5-dimethylhex-4-en-2-amine is sourced from PubChem (CID 123722452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).