tert-butyl N-[2-(but-3-enylamino)cyclohexyl]carbamate

C15H28N2O2 — CID 68975767

IUPACtert-butyl N-[2-(but-3-enylamino)cyclohexyl]carbamate
SMILESC=CCCNC1CCCCC1NC(=O)OC(C)(C)C
InChIInChI=1S/C15H28N2O2/c1-5-6-11-16-12-9-7-8-10-13(12)17-14(18)19-15(2,3)4/h5,12-13,16H,1,6-11H2,2-4H3,(H,17,18)
InChIKeyLKRDFUHWOHNAKT-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.99
Rot. Bonds5

About tert-butyl N-[2-(but-3-enylamino)cyclohexyl]carbamate

tert-butyl N-[2-(but-3-enylamino)cyclohexyl]carbamate (PubChem CID 68975767) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is tert-butyl N-[2-(but-3-enylamino)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(but-3-enylamino)cyclohexyl]carbamate
PubChem CID68975767
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Nametert-butyl N-[2-(but-3-enylamino)cyclohexyl]carbamate
SMILESC=CCCNC1CCCCC1NC(=O)OC(C)(C)C
InChIInChI=1S/C15H28N2O2/c1-5-6-11-16-12-9-7-8-10-13(12)17-14(18)19-15(2,3)4/h5,12-13,16H,1,6-11H2,2-4H3,(H,17,18)
InChIKeyLKRDFUHWOHNAKT-UHFFFAOYSA-N
XLogP2.99
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-(hex-5-en-2-ylamino)cycloheptyl]carbamate
CID 107244173
tert-butyl N-[(2S)-2-(methylamino)cyclohexyl]carbamate
CID 163904666
tert-butyl N-[2-(heptylamino)cycloheptyl]carbamate
CID 107244101
tert-butyl N-[2-(cyclopropylmethylamino)cycloheptyl]carbamate
CID 103082520
2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]acetic acid
CID 21251921
tert-butyl N-[2-(2-methylpropylamino)cycloheptyl]carbamate
CID 103082504
tert-butyl N-[(1S,2S)-2-(ethylamino)cyclobutyl]carbamate
CID 162423539
tert-butyl N-[2-(2,2-dimethoxyethylamino)cycloheptyl]carbamate
CID 107244083
tert-butyl N-[(1S,2R)-2-(propan-2-ylamino)cyclohexyl]carbamate
CID 96555526
tert-butyl N-[(1S,2R)-2-formylcyclohexyl]carbamate;tert-butyl N-[(1R,2S)-2-formylcyclohexyl]carbamate
CID 102571710
tert-butyl N-[(1S,2S)-2-hydroxycyclohexyl]carbamate
CID 10013520
tert-butyl N-[2-(2,2-dimethoxyethylamino)cyclopentyl]carbamate
CID 107243618

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(but-3-enylamino)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[2-(but-3-enylamino)cyclohexyl]carbamate (CID 68975767) is tert-butyl N-[2-(but-3-enylamino)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(but-3-enylamino)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(but-3-enylamino)cyclohexyl]carbamate is C=CCCNC1CCCCC1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(but-3-enylamino)cyclohexyl]carbamate?
The InChIKey is LKRDFUHWOHNAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-5-6-11-16-12-9-7-8-10-13(12)17-14(18)19-15(2,3)4/h5,12-13,16H,1,6-11H2,2-4H3,(H,17,18).
What are the key properties of tert-butyl N-[2-(but-3-enylamino)cyclohexyl]carbamate?
tert-butyl N-[2-(but-3-enylamino)cyclohexyl]carbamate has a molecular weight of 268.40 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(but-3-enylamino)cyclohexyl]carbamate is sourced from PubChem (CID 68975767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).