propan-2-yl N-(2,2,5,5-tetramethyl-4-methylidenehexan-3-yl)carbamate

C15H29NO2 — CID 58332033

IUPACpropan-2-yl N-(2,2,5,5-tetramethyl-4-methylidenehexan-3-yl)carbamate
SMILESC=C(C(NC(=O)OC(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H29NO2/c1-10(2)18-13(17)16-12(15(7,8)9)11(3)14(4,5)6/h10,12H,3H2,1-2,4-9H3,(H,16,17)
InChIKeyVSMZXQPYVQWJQC-UHFFFAOYSA-N
MW255.40 g/mol
LogP4.14
Rot. Bonds3

About propan-2-yl N-(2,2,5,5-tetramethyl-4-methylidenehexan-3-yl)carbamate

propan-2-yl N-(2,2,5,5-tetramethyl-4-methylidenehexan-3-yl)carbamate (PubChem CID 58332033) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is propan-2-yl N-(2,2,5,5-tetramethyl-4-methylidenehexan-3-yl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(2,2,5,5-tetramethyl-4-methylidenehexan-3-yl)carbamate
PubChem CID58332033
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Namepropan-2-yl N-(2,2,5,5-tetramethyl-4-methylidenehexan-3-yl)carbamate
SMILESC=C(C(NC(=O)OC(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H29NO2/c1-10(2)18-13(17)16-12(15(7,8)9)11(3)14(4,5)6/h10,12H,3H2,1-2,4-9H3,(H,16,17)
InChIKeyVSMZXQPYVQWJQC-UHFFFAOYSA-N
XLogP4.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoroethyl N-(2,2,5,5-tetramethyl-4-methylidenehexan-3-yl)carbamate
CID 58331838
oxolan-3-yl N-(2,4,4-trimethylpent-1-en-3-yl)carbamate
CID 58331888
2,2,5,5-tetramethyl-4-methylidene-N-(propan-2-yloxymethyl)hexan-3-amine
CID 58363543
ethyl N-(2,2,5,5-tetramethyl-4-methylidenehexan-3-yl)carbamate
CID 58363618
2-methoxyethyl N-(2,2,5,5-tetramethyl-4-methylidenehexan-3-yl)carbamate
CID 88912168
oxan-4-yl N-[(3R)-2,5-dimethyl-4-methylidenehexan-3-yl]carbamate
CID 88995069
methyl N-[(3S)-2,4,4-trimethylpent-1-en-3-yl]carbamate
CID 89024168
methyl N-(2,5-dimethyl-4-methylidenehexan-3-yl)carbamate
CID 90872009
oxan-4-yl N-(2,5-dimethyl-4-methylidenehexan-3-yl)carbamate
CID 91201551
2-methylpent-4-enyl N-(2,2-dimethylhexan-3-yl)carbamate
CID 123144848
tert-butyl N-(2,4,4-trimethylpent-1-en-3-yl)carbamate
CID 123936360
tert-butyl N-[(3R)-2,5-dimethylhex-1-en-3-yl]carbamate
CID 129070906

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(2,2,5,5-tetramethyl-4-methylidenehexan-3-yl)carbamate?
The IUPAC name of propan-2-yl N-(2,2,5,5-tetramethyl-4-methylidenehexan-3-yl)carbamate (CID 58332033) is propan-2-yl N-(2,2,5,5-tetramethyl-4-methylidenehexan-3-yl)carbamate.
What is the SMILES notation for propan-2-yl N-(2,2,5,5-tetramethyl-4-methylidenehexan-3-yl)carbamate?
The canonical SMILES for propan-2-yl N-(2,2,5,5-tetramethyl-4-methylidenehexan-3-yl)carbamate is C=C(C(NC(=O)OC(C)C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of propan-2-yl N-(2,2,5,5-tetramethyl-4-methylidenehexan-3-yl)carbamate?
The InChIKey is VSMZXQPYVQWJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-10(2)18-13(17)16-12(15(7,8)9)11(3)14(4,5)6/h10,12H,3H2,1-2,4-9H3,(H,16,17).
What are the key properties of propan-2-yl N-(2,2,5,5-tetramethyl-4-methylidenehexan-3-yl)carbamate?
propan-2-yl N-(2,2,5,5-tetramethyl-4-methylidenehexan-3-yl)carbamate has a molecular weight of 255.40 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(2,2,5,5-tetramethyl-4-methylidenehexan-3-yl)carbamate is sourced from PubChem (CID 58332033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).