6-(3-ethylidenecyclobutyl)-N-(4-methylpentan-2-yl)-N-pentyl-2-prop-1-enylhexan-1-amine

C26H49N — CID 123522011

IUPAC6-(3-ethylidenecyclobutyl)-N-(4-methylpentan-2-yl)-N-pentyl-2-prop-1-enylhexan-1-amine
SMILESCC=CC(CCCCC1CC(=CC)C1)CN(CCCCC)C(C)CC(C)C
InChIInChI=1S/C26H49N/c1-7-10-13-17-27(23(6)18-22(4)5)21-25(14-8-2)15-11-12-16-26-19-24(9-3)20-26/h8-9,14,22-23,25-26H,7,10-13,15-21H2,1-6H3/b14-8?,24-9-
InChIKeyYYCVQEIAWKRIFP-OYKHTCASSA-N
MW375.69 g/mol
LogP8.02
Rot. Bonds15

About 6-(3-ethylidenecyclobutyl)-N-(4-methylpentan-2-yl)-N-pentyl-2-prop-1-enylhexan-1-amine

6-(3-ethylidenecyclobutyl)-N-(4-methylpentan-2-yl)-N-pentyl-2-prop-1-enylhexan-1-amine (PubChem CID 123522011) has the molecular formula C26H49N and a molecular weight of 375.69 g/mol. Its IUPAC name is 6-(3-ethylidenecyclobutyl)-N-(4-methylpentan-2-yl)-N-pentyl-2-prop-1-enylhexan-1-amine.

Molecular Properties

Compound Name6-(3-ethylidenecyclobutyl)-N-(4-methylpentan-2-yl)-N-pentyl-2-prop-1-enylhexan-1-amine
PubChem CID123522011
Molecular FormulaC26H49N
Molecular Weight375.69 g/mol
Exact Mass375.39
IUPAC Name6-(3-ethylidenecyclobutyl)-N-(4-methylpentan-2-yl)-N-pentyl-2-prop-1-enylhexan-1-amine
SMILESCC=CC(CCCCC1CC(=CC)C1)CN(CCCCC)C(C)CC(C)C
InChIInChI=1S/C26H49N/c1-7-10-13-17-27(23(6)18-22(4)5)21-25(14-8-2)15-11-12-16-26-19-24(9-3)20-26/h8-9,14,22-23,25-26H,7,10-13,15-21H2,1-6H3/b14-8?,24-9-
InChIKeyYYCVQEIAWKRIFP-OYKHTCASSA-N
XLogP8.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.69
LogP ≤ 58.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-(3-ethylidenecyclobutyl)-N-(4-methylpentan-2-yl)-N-pentyl-2-prop-1-enylhexan-1-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

6-[(E)-prop-1-enyl]undecane
CID 134941128
(1E)-1-ethylidene-3-octylcyclopentane
CID 24977760
5-prop-1-enyltridecane
CID 57064303
N-pent-3-en-2-yl-N-pentylpentan-1-amine;hydrochloride
CID 155653033
1-(chloro(113C)methylidene)-3-hexylcyclobutane
CID 10797681
1-hexyl-3-(iodo(113C)methylidene)cyclobutane
CID 10850272
N-heptadecyl-N-(11-methyldodecyl)heptadecan-1-amine
CID 139723018
N,N-di(heptadecyl)-16-methylheptadecan-1-amine
CID 139722751
13-methyl-N-(13-methyltetradecyl)-N-tetradecyltetradecan-1-amine
CID 139723818
11-methyl-N-(11-methyldodecyl)-N-pentyldodecan-1-amine
CID 139722518
N,N-didodecyl-16-methylheptadecan-1-amine
CID 139723359
N,N-bis(12-methyltridecyl)heptadecan-1-amine
CID 139722647

Frequently Asked Questions

What is the IUPAC name of 6-(3-ethylidenecyclobutyl)-N-(4-methylpentan-2-yl)-N-pentyl-2-prop-1-enylhexan-1-amine?
The IUPAC name of 6-(3-ethylidenecyclobutyl)-N-(4-methylpentan-2-yl)-N-pentyl-2-prop-1-enylhexan-1-amine (CID 123522011) is 6-(3-ethylidenecyclobutyl)-N-(4-methylpentan-2-yl)-N-pentyl-2-prop-1-enylhexan-1-amine.
What is the SMILES notation for 6-(3-ethylidenecyclobutyl)-N-(4-methylpentan-2-yl)-N-pentyl-2-prop-1-enylhexan-1-amine?
The canonical SMILES for 6-(3-ethylidenecyclobutyl)-N-(4-methylpentan-2-yl)-N-pentyl-2-prop-1-enylhexan-1-amine is CC=CC(CCCCC1CC(=CC)C1)CN(CCCCC)C(C)CC(C)C.
What is the InChIKey of 6-(3-ethylidenecyclobutyl)-N-(4-methylpentan-2-yl)-N-pentyl-2-prop-1-enylhexan-1-amine?
The InChIKey is YYCVQEIAWKRIFP-OYKHTCASSA-N. The full InChI is InChI=1S/C26H49N/c1-7-10-13-17-27(23(6)18-22(4)5)21-25(14-8-2)15-11-12-16-26-19-24(9-3)20-26/h8-9,14,22-23,25-26H,7,10-13,15-21H2,1-6H3/b14-8?,24-9-.
What are the key properties of 6-(3-ethylidenecyclobutyl)-N-(4-methylpentan-2-yl)-N-pentyl-2-prop-1-enylhexan-1-amine?
6-(3-ethylidenecyclobutyl)-N-(4-methylpentan-2-yl)-N-pentyl-2-prop-1-enylhexan-1-amine has a molecular weight of 375.69 g/mol, XLogP of 8.02, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethylidenecyclobutyl)-N-(4-methylpentan-2-yl)-N-pentyl-2-prop-1-enylhexan-1-amine is sourced from PubChem (CID 123522011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).