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

C18H34N2O2 — CID 107244173

IUPACtert-butyl N-[2-(hex-5-en-2-ylamino)cycloheptyl]carbamate
SMILESC=CCCC(C)NC1CCCCCC1NC(=O)OC(C)(C)C
InChIInChI=1S/C18H34N2O2/c1-6-7-11-14(2)19-15-12-9-8-10-13-16(15)20-17(21)22-18(3,4)5/h6,14-16,19H,1,7-13H2,2-5H3,(H,20,21)
InChIKeyIIRMHQBDYNDTNU-UHFFFAOYSA-N
MW310.48 g/mol
LogP4.16
Rot. Bonds6

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

tert-butyl N-[2-(hex-5-en-2-ylamino)cycloheptyl]carbamate (PubChem CID 107244173) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is tert-butyl N-[2-(hex-5-en-2-ylamino)cycloheptyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(hex-5-en-2-ylamino)cycloheptyl]carbamate
PubChem CID107244173
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC Nametert-butyl N-[2-(hex-5-en-2-ylamino)cycloheptyl]carbamate
SMILESC=CCCC(C)NC1CCCCCC1NC(=O)OC(C)(C)C
InChIInChI=1S/C18H34N2O2/c1-6-7-11-14(2)19-15-12-9-8-10-13-16(15)20-17(21)22-18(3,4)5/h6,14-16,19H,1,7-13H2,2-5H3,(H,20,21)
InChIKeyIIRMHQBDYNDTNU-UHFFFAOYSA-N
XLogP4.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(1S,2R)-2-(propan-2-ylamino)cyclohexyl]carbamate
CID 96555526
tert-butyl N-[2-(but-3-enylamino)cyclohexyl]carbamate
CID 68975767
tert-butyl N-[2-(1-cyclopropylethylamino)cycloheptyl]carbamate
CID 103082516
2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]cycloheptyl]amino]propanoic acid
CID 107244084
tert-butyl N-[2-(2-methylpropylamino)cycloheptyl]carbamate
CID 103082504
tert-butyl N-[(2S)-2-(methylamino)cyclohexyl]carbamate
CID 163904666
tert-butyl N-[2-(3-methylpentan-2-ylamino)cyclopentyl]carbamate
CID 107243823
tert-butyl N-[2-[(3-hydroxy-3-methylbutan-2-yl)amino]cyclopentyl]carbamate
CID 107243876
tert-butyl N-[2-(dicyclopropylmethylamino)cyclopentyl]carbamate
CID 107243769
tert-butyl N-[2-(cyclopropylmethylamino)cycloheptyl]carbamate
CID 103082520
tert-butyl N-[2-[1-(azepan-2-yl)propan-2-ylamino]cyclopropyl]carbamate
CID 107238327
tert-butyl N-[(1S,2S)-2-(cyclohexylamino)cyclohexyl]carbamate
CID 129409949

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(hex-5-en-2-ylamino)cycloheptyl]carbamate?
The IUPAC name of tert-butyl N-[2-(hex-5-en-2-ylamino)cycloheptyl]carbamate (CID 107244173) is tert-butyl N-[2-(hex-5-en-2-ylamino)cycloheptyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(hex-5-en-2-ylamino)cycloheptyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(hex-5-en-2-ylamino)cycloheptyl]carbamate is C=CCCC(C)NC1CCCCCC1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(hex-5-en-2-ylamino)cycloheptyl]carbamate?
The InChIKey is IIRMHQBDYNDTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-6-7-11-14(2)19-15-12-9-8-10-13-16(15)20-17(21)22-18(3,4)5/h6,14-16,19H,1,7-13H2,2-5H3,(H,20,21).
What are the key properties of tert-butyl N-[2-(hex-5-en-2-ylamino)cycloheptyl]carbamate?
tert-butyl N-[2-(hex-5-en-2-ylamino)cycloheptyl]carbamate has a molecular weight of 310.48 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(hex-5-en-2-ylamino)cycloheptyl]carbamate is sourced from PubChem (CID 107244173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).