[(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] N,N-di(propan-2-yl)carbamate

C17H29NO2 — CID 23729984

IUPAC[(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] N,N-di(propan-2-yl)carbamate
SMILESC=C(C)[C@@H]1CC=C(C)[C@H](OC(=O)N(C(C)C)C(C)C)C1
InChIInChI=1S/C17H29NO2/c1-11(2)15-9-8-14(7)16(10-15)20-17(19)18(12(3)4)13(5)6/h8,12-13,15-16H,1,9-10H2,2-7H3/t15-,16-/m1/s1
InChIKeyUBJCRDNMYYTTGZ-HZPDHXFCSA-N
MW279.42 g/mol
LogP4.54
Rot. Bonds4

About [(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] N,N-di(propan-2-yl)carbamate

[(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] N,N-di(propan-2-yl)carbamate (PubChem CID 23729984) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is [(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound Name[(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] N,N-di(propan-2-yl)carbamate
PubChem CID23729984
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name[(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] N,N-di(propan-2-yl)carbamate
SMILESC=C(C)[C@@H]1CC=C(C)[C@H](OC(=O)N(C(C)C)C(C)C)C1
InChIInChI=1S/C17H29NO2/c1-11(2)15-9-8-14(7)16(10-15)20-17(19)18(12(3)4)13(5)6/h8,12-13,15-16H,1,9-10H2,2-7H3/t15-,16-/m1/s1
InChIKeyUBJCRDNMYYTTGZ-HZPDHXFCSA-N
XLogP4.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] N,N-di(propan-2-yl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] N,N-di(propan-2-yl)carbamate?
The IUPAC name of [(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] N,N-di(propan-2-yl)carbamate (CID 23729984) is [(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for [(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] N,N-di(propan-2-yl)carbamate?
The canonical SMILES for [(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] N,N-di(propan-2-yl)carbamate is C=C(C)[C@@H]1CC=C(C)[C@H](OC(=O)N(C(C)C)C(C)C)C1.
What is the InChIKey of [(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] N,N-di(propan-2-yl)carbamate?
The InChIKey is UBJCRDNMYYTTGZ-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H29NO2/c1-11(2)15-9-8-14(7)16(10-15)20-17(19)18(12(3)4)13(5)6/h8,12-13,15-16H,1,9-10H2,2-7H3/t15-,16-/m1/s1.
What are the key properties of [(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] N,N-di(propan-2-yl)carbamate?
[(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] N,N-di(propan-2-yl)carbamate has a molecular weight of 279.42 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 23729984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).