tert-butyl N-[5-amino-6-[(2-methylpropan-2-yl)oxy]hept-6-enyl]carbamate

C16H32N2O3 — CID 123233408

IUPACtert-butyl N-[5-amino-6-[(2-methylpropan-2-yl)oxy]hept-6-enyl]carbamate
SMILESC=C(OC(C)(C)C)C(N)CCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C16H32N2O3/c1-12(20-15(2,3)4)13(17)10-8-9-11-18-14(19)21-16(5,6)7/h13H,1,8-11,17H2,2-7H3,(H,18,19)
InChIKeyFDTJWZBANWPPAW-UHFFFAOYSA-N
MW300.44 g/mol
LogP3.34
Rot. Bonds7

About tert-butyl N-[5-amino-6-[(2-methylpropan-2-yl)oxy]hept-6-enyl]carbamate

tert-butyl N-[5-amino-6-[(2-methylpropan-2-yl)oxy]hept-6-enyl]carbamate (PubChem CID 123233408) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is tert-butyl N-[5-amino-6-[(2-methylpropan-2-yl)oxy]hept-6-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-amino-6-[(2-methylpropan-2-yl)oxy]hept-6-enyl]carbamate
PubChem CID123233408
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Nametert-butyl N-[5-amino-6-[(2-methylpropan-2-yl)oxy]hept-6-enyl]carbamate
SMILESC=C(OC(C)(C)C)C(N)CCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C16H32N2O3/c1-12(20-15(2,3)4)13(17)10-8-9-11-18-14(19)21-16(5,6)7/h13H,1,8-11,17H2,2-7H3,(H,18,19)
InChIKeyFDTJWZBANWPPAW-UHFFFAOYSA-N
XLogP3.34
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze tert-butyl N-[5-amino-6-[(2-methylpropan-2-yl)oxy]hept-6-enyl]carbamate with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl N-[(5S)-5-amino-6-[(2-methylpropan-2-yl)oxy]hept-6-enyl]carbamate
CID 87756695
Methyl 2-amino-3-[3-amino-7-[(2-methylpropan-2-yl)oxycarbonylamino]hept-1-en-2-yl]oxypropanoate
CID 89207756
tert-butyl N-(5-amino-6-prop-2-enoxyhept-6-enyl)carbamate
CID 130444768
tert-butyl N-[(3S)-7-amino-2-methoxyhept-1-en-3-yl]carbamate
CID 132022467
tert-butyl N-[(3S)-7-(3-aminoprop-1-en-2-ylamino)-2-methoxyhept-1-en-3-yl]carbamate
CID 132022468
tert-butyl N-[(3R)-6-[(2-methylpropan-2-yl)oxy]hept-6-en-3-yl]carbamate;ethane
CID 143638661
tert-butyl N-(2-methoxy-5-methylhexa-1,5-dien-3-yl)carbamate;ethane
CID 144036876
tert-butyl N-[(3S)-6-[(2-methylpropan-2-yl)oxy]hepta-1,6-dien-3-yl]carbamate
CID 145654505
tert-butyl N-methyl-N-[2-[6-[(2-methylpropan-2-yl)oxy]hept-6-enylamino]ethyl]carbamate
CID 155029966
tert-butyl N-[(3R)-6-[(2-methylpropan-2-yl)oxy]hept-6-en-3-yl]carbamate
CID 143638662
tert-butyl N-(2-methoxy-5-methylhexa-1,5-dien-3-yl)carbamate
CID 144036877

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-amino-6-[(2-methylpropan-2-yl)oxy]hept-6-enyl]carbamate?
The IUPAC name of tert-butyl N-[5-amino-6-[(2-methylpropan-2-yl)oxy]hept-6-enyl]carbamate (CID 123233408) is tert-butyl N-[5-amino-6-[(2-methylpropan-2-yl)oxy]hept-6-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-amino-6-[(2-methylpropan-2-yl)oxy]hept-6-enyl]carbamate?
The canonical SMILES for tert-butyl N-[5-amino-6-[(2-methylpropan-2-yl)oxy]hept-6-enyl]carbamate is C=C(OC(C)(C)C)C(N)CCCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[5-amino-6-[(2-methylpropan-2-yl)oxy]hept-6-enyl]carbamate?
The InChIKey is FDTJWZBANWPPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-12(20-15(2,3)4)13(17)10-8-9-11-18-14(19)21-16(5,6)7/h13H,1,8-11,17H2,2-7H3,(H,18,19).
What are the key properties of tert-butyl N-[5-amino-6-[(2-methylpropan-2-yl)oxy]hept-6-enyl]carbamate?
tert-butyl N-[5-amino-6-[(2-methylpropan-2-yl)oxy]hept-6-enyl]carbamate has a molecular weight of 300.44 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-amino-6-[(2-methylpropan-2-yl)oxy]hept-6-enyl]carbamate is sourced from PubChem (CID 123233408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).