tert-butyl N-butyl-N-hex-5-en-2-ylcarbamate

C15H29NO2 — CID 10355020

IUPACtert-butyl N-butyl-N-hex-5-en-2-ylcarbamate
SMILESC=CCCC(C)N(CCCC)C(=O)OC(C)(C)C
InChIInChI=1S/C15H29NO2/c1-7-9-11-13(3)16(12-10-8-2)14(17)18-15(4,5)6/h7,13H,1,8-12H2,2-6H3
InChIKeyIFTXSGZZIKIABQ-UHFFFAOYSA-N
MW255.40 g/mol
LogP4.38
Rot. Bonds7

About tert-butyl N-butyl-N-hex-5-en-2-ylcarbamate

tert-butyl N-butyl-N-hex-5-en-2-ylcarbamate (PubChem CID 10355020) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is tert-butyl N-butyl-N-hex-5-en-2-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-butyl-N-hex-5-en-2-ylcarbamate
PubChem CID10355020
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Nametert-butyl N-butyl-N-hex-5-en-2-ylcarbamate
SMILESC=CCCC(C)N(CCCC)C(=O)OC(C)(C)C
InChIInChI=1S/C15H29NO2/c1-7-9-11-13(3)16(12-10-8-2)14(17)18-15(4,5)6/h7,13H,1,8-12H2,2-6H3
InChIKeyIFTXSGZZIKIABQ-UHFFFAOYSA-N
XLogP4.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(1S)-2-chloro-1-hydroxyethyl]-N-[(3S)-3-methylhept-6-enyl]carbamate
CID 87895736
tert-butyl N-butan-2-yl-N-prop-2-enylcarbamate
CID 10375927
2-[(2-methylpropan-2-yl)oxycarbonyl-[(2S)-pent-4-en-2-yl]amino]acetic acid
CID 134594143
tert-butyl N-methyl-N-pent-4-enylcarbamate
CID 20756745
tert-butyl N-(2-hydroxypropyl)-N-pentan-2-ylcarbamate
CID 162438546
tert-butyl N-[(4Z)-4-hydroxyiminobutan-2-yl]-N-prop-2-enylcarbamate
CID 102278228
tert-butyl N-(3-oxopropyl)-N-propan-2-ylcarbamate
CID 105468762
3-[[(2S)-5-(diethylamino)pentan-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 125462480
tert-butyl N-[2-(octylamino)ethyl]-N-propan-2-ylcarbamate
CID 107245800
tert-butyl N-(3-cyclopentyl-3-oxopropyl)-N-pentan-2-ylcarbamate
CID 121443463
tert-butyl N-methyl-N-[(2S)-4-(pent-4-enoylamino)butan-2-yl]carbamate
CID 97019603
tert-butyl N-hex-1-en-3-yl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 14143447

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-butyl-N-hex-5-en-2-ylcarbamate?
The IUPAC name of tert-butyl N-butyl-N-hex-5-en-2-ylcarbamate (CID 10355020) is tert-butyl N-butyl-N-hex-5-en-2-ylcarbamate.
What is the SMILES notation for tert-butyl N-butyl-N-hex-5-en-2-ylcarbamate?
The canonical SMILES for tert-butyl N-butyl-N-hex-5-en-2-ylcarbamate is C=CCCC(C)N(CCCC)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-butyl-N-hex-5-en-2-ylcarbamate?
The InChIKey is IFTXSGZZIKIABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-7-9-11-13(3)16(12-10-8-2)14(17)18-15(4,5)6/h7,13H,1,8-12H2,2-6H3.
What are the key properties of tert-butyl N-butyl-N-hex-5-en-2-ylcarbamate?
tert-butyl N-butyl-N-hex-5-en-2-ylcarbamate has a molecular weight of 255.40 g/mol, XLogP of 4.38, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-butyl-N-hex-5-en-2-ylcarbamate is sourced from PubChem (CID 10355020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).