tert-butyl N-[2-(hex-5-en-2-ylamino)ethyl]-N-(2-methoxyethyl)carbamate

C16H32N2O3 — CID 104583664

IUPACtert-butyl N-[2-(hex-5-en-2-ylamino)ethyl]-N-(2-methoxyethyl)carbamate
SMILESC=CCCC(C)NCCN(CCOC)C(=O)OC(C)(C)C
InChIInChI=1S/C16H32N2O3/c1-7-8-9-14(2)17-10-11-18(12-13-20-6)15(19)21-16(3,4)5/h7,14,17H,1,8-13H2,2-6H3
InChIKeyLJPOUXIHJLDMDH-UHFFFAOYSA-N
MW300.44 g/mol
LogP2.81
Rot. Bonds10

About tert-butyl N-[2-(hex-5-en-2-ylamino)ethyl]-N-(2-methoxyethyl)carbamate

tert-butyl N-[2-(hex-5-en-2-ylamino)ethyl]-N-(2-methoxyethyl)carbamate (PubChem CID 104583664) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is tert-butyl N-[2-(hex-5-en-2-ylamino)ethyl]-N-(2-methoxyethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(hex-5-en-2-ylamino)ethyl]-N-(2-methoxyethyl)carbamate
PubChem CID104583664
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Nametert-butyl N-[2-(hex-5-en-2-ylamino)ethyl]-N-(2-methoxyethyl)carbamate
SMILESC=CCCC(C)NCCN(CCOC)C(=O)OC(C)(C)C
InChIInChI=1S/C16H32N2O3/c1-7-8-9-14(2)17-10-11-18(12-13-20-6)15(19)21-16(3,4)5/h7,14,17H,1,8-13H2,2-6H3
InChIKeyLJPOUXIHJLDMDH-UHFFFAOYSA-N
XLogP2.81
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-[(3-hydroxy-3-methylbutan-2-yl)amino]ethyl]-N-(2-methoxyethyl)carbamate
CID 107256998
tert-butyl N-(2-methoxyethyl)-N-[2-(2-methylpentan-3-ylamino)ethyl]carbamate
CID 103906265
tert-butyl N-[2-[1-(furan-2-yl)propan-2-ylamino]ethyl]-N-(2-methoxyethyl)carbamate
CID 107256902
N-(5-methoxypentyl)hex-5-en-2-amine
CID 104582118
tert-butyl N-(2-methoxyethyl)-N-[2-(1-thiophen-2-ylpropylamino)ethyl]carbamate
CID 103906226
tert-butyl N-methyl-N-[2-(5-methylhexan-2-ylamino)ethyl]carbamate
CID 103780595
tert-butyl N-[2-(but-3-enylamino)-2-oxoethyl]-N-(2-hydroxypropyl)carbamate
CID 91477046
tert-butyl N-[2-[[1-[4-[(1S)-1-aminoethyl]phenyl]-3-methoxypropyl]amino]ethyl]-N-propylcarbamate
CID 155472986
N-(4-methoxybutan-2-yl)pent-4-en-1-amine
CID 64603427
N-hex-5-en-2-yl-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 104581510
tert-butyl N-(2-hydroxyethyl)-N-(2-methoxyethyl)carbamate;tetradecanal
CID 178107903
tert-butyl N-(2-methoxyethyl)-N-[2-[(1-oxothian-4-yl)amino]ethyl]carbamate
CID 107256930

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(hex-5-en-2-ylamino)ethyl]-N-(2-methoxyethyl)carbamate?
The IUPAC name of tert-butyl N-[2-(hex-5-en-2-ylamino)ethyl]-N-(2-methoxyethyl)carbamate (CID 104583664) is tert-butyl N-[2-(hex-5-en-2-ylamino)ethyl]-N-(2-methoxyethyl)carbamate.
What is the SMILES notation for tert-butyl N-[2-(hex-5-en-2-ylamino)ethyl]-N-(2-methoxyethyl)carbamate?
The canonical SMILES for tert-butyl N-[2-(hex-5-en-2-ylamino)ethyl]-N-(2-methoxyethyl)carbamate is C=CCCC(C)NCCN(CCOC)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(hex-5-en-2-ylamino)ethyl]-N-(2-methoxyethyl)carbamate?
The InChIKey is LJPOUXIHJLDMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-7-8-9-14(2)17-10-11-18(12-13-20-6)15(19)21-16(3,4)5/h7,14,17H,1,8-13H2,2-6H3.
What are the key properties of tert-butyl N-[2-(hex-5-en-2-ylamino)ethyl]-N-(2-methoxyethyl)carbamate?
tert-butyl N-[2-(hex-5-en-2-ylamino)ethyl]-N-(2-methoxyethyl)carbamate has a molecular weight of 300.44 g/mol, XLogP of 2.81, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(hex-5-en-2-ylamino)ethyl]-N-(2-methoxyethyl)carbamate is sourced from PubChem (CID 104583664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).