N-(2-but-3-enoxyethyl)cyclododecanamine

C18H35NO — CID 106397131

IUPACN-(2-but-3-enoxyethyl)cyclododecanamine
SMILESC=CCCOCCNC1CCCCCCCCCCC1
InChIInChI=1S/C18H35NO/c1-2-3-16-20-17-15-19-18-13-11-9-7-5-4-6-8-10-12-14-18/h2,18-19H,1,3-17H2
InChIKeyLUIMBIOGKFRVQJ-UHFFFAOYSA-N
MW281.48 g/mol
LogP4.84
Rot. Bonds7

About N-(2-but-3-enoxyethyl)cyclododecanamine

N-(2-but-3-enoxyethyl)cyclododecanamine (PubChem CID 106397131) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)cyclododecanamine.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)cyclododecanamine
PubChem CID106397131
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC NameN-(2-but-3-enoxyethyl)cyclododecanamine
SMILESC=CCCOCCNC1CCCCCCCCCCC1
InChIInChI=1S/C18H35NO/c1-2-3-16-20-17-15-19-18-13-11-9-7-5-4-6-8-10-12-14-18/h2,18-19H,1,3-17H2
InChIKeyLUIMBIOGKFRVQJ-UHFFFAOYSA-N
XLogP4.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-but-3-enoxyethyl)cyclododecanamine 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

N-(2-but-3-enoxyethyl)thian-4-amine
CID 115770559
N-(2-but-3-enoxyethyl)spiro[4.5]decan-8-amine
CID 106396988
N-(2-but-3-enoxyethyl)-4-ethylcyclohexan-1-amine
CID 103854437
N-(3-prop-2-enoxypropyl)cyclohexanamine
CID 62570820
N-(2-propoxyethyl)cyclohexanamine
CID 62583388
2-[2-(cyclohexylamino)ethoxy]ethanol
CID 3361598
1-[4-(2-but-3-enoxyethylamino)piperidin-1-yl]ethanone
CID 103854368
1-(2-but-3-enoxyethyl)-3-cyclopentylurea
CID 103853130
N-(2-but-3-enoxyethyl)-3,3,5,5-tetramethylcyclohexan-1-amine
CID 106397216
N-[2-(2-cyclobutylethoxy)ethyl]cycloheptanamine
CID 114158070
N-[2-(cyclopropylmethoxy)ethyl]cyclooctanamine
CID 115718328
N-(2-but-3-enoxyethyl)-2,2-dimethyloxan-4-amine
CID 106397284

Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)cyclododecanamine?
The IUPAC name of N-(2-but-3-enoxyethyl)cyclododecanamine (CID 106397131) is N-(2-but-3-enoxyethyl)cyclododecanamine.
What is the SMILES notation for N-(2-but-3-enoxyethyl)cyclododecanamine?
The canonical SMILES for N-(2-but-3-enoxyethyl)cyclododecanamine is C=CCCOCCNC1CCCCCCCCCCC1.
What is the InChIKey of N-(2-but-3-enoxyethyl)cyclododecanamine?
The InChIKey is LUIMBIOGKFRVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-2-3-16-20-17-15-19-18-13-11-9-7-5-4-6-8-10-12-14-18/h2,18-19H,1,3-17H2.
What are the key properties of N-(2-but-3-enoxyethyl)cyclododecanamine?
N-(2-but-3-enoxyethyl)cyclododecanamine has a molecular weight of 281.48 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-enoxyethyl)cyclododecanamine is sourced from PubChem (CID 106397131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).