N-(cyclohex-3-en-1-ylmethyl)cyclododecanamine

C19H35N — CID 63478638

IUPACN-(cyclohex-3-en-1-ylmethyl)cyclododecanamine
SMILESC1=CCC(CNC2CCCCCCCCCCC2)CC1
InChIInChI=1S/C19H35N/c1-2-4-6-11-15-19(16-12-7-5-3-1)20-17-18-13-9-8-10-14-18/h8-9,18-20H,1-7,10-17H2
InChIKeyFCVJNRWJJIRVQJ-UHFFFAOYSA-N
MW277.50 g/mol
LogP5.61
Rot. Bonds3

About N-(cyclohex-3-en-1-ylmethyl)cyclododecanamine

N-(cyclohex-3-en-1-ylmethyl)cyclododecanamine (PubChem CID 63478638) has the molecular formula C19H35N and a molecular weight of 277.50 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)cyclododecanamine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)cyclododecanamine
PubChem CID63478638
Molecular FormulaC19H35N
Molecular Weight277.50 g/mol
Exact Mass277.28
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)cyclododecanamine
SMILESC1=CCC(CNC2CCCCCCCCCCC2)CC1
InChIInChI=1S/C19H35N/c1-2-4-6-11-15-19(16-12-7-5-3-1)20-17-18-13-9-8-10-14-18/h8-9,18-20H,1-7,10-17H2
InChIKeyFCVJNRWJJIRVQJ-UHFFFAOYSA-N
XLogP5.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.50
LogP ≤ 55.61
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-(cyclohex-3-en-1-ylmethyl)cyclododecanamine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)cyclododecanamine (CID 63478638) is N-(cyclohex-3-en-1-ylmethyl)cyclododecanamine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)cyclododecanamine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)cyclododecanamine is C1=CCC(CNC2CCCCCCCCCCC2)CC1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)cyclododecanamine?
The InChIKey is FCVJNRWJJIRVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N/c1-2-4-6-11-15-19(16-12-7-5-3-1)20-17-18-13-9-8-10-14-18/h8-9,18-20H,1-7,10-17H2.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)cyclododecanamine?
N-(cyclohex-3-en-1-ylmethyl)cyclododecanamine has a molecular weight of 277.50 g/mol, XLogP of 5.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)cyclododecanamine is sourced from PubChem (CID 63478638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).