tert-butyl N-[2-(1-cyclopropylethylamino)hexyl]carbamate

C16H32N2O2 — CID 103788606

IUPACtert-butyl N-[2-(1-cyclopropylethylamino)hexyl]carbamate
SMILESCCCCC(CNC(=O)OC(C)(C)C)NC(C)C1CC1
InChIInChI=1S/C16H32N2O2/c1-6-7-8-14(18-12(2)13-9-10-13)11-17-15(19)20-16(3,4)5/h12-14,18H,6-11H2,1-5H3,(H,17,19)
InChIKeyPMXWVFKROSRKPX-UHFFFAOYSA-N
MW284.44 g/mol
LogP3.46
Rot. Bonds8

About tert-butyl N-[2-(1-cyclopropylethylamino)hexyl]carbamate

tert-butyl N-[2-(1-cyclopropylethylamino)hexyl]carbamate (PubChem CID 103788606) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is tert-butyl N-[2-(1-cyclopropylethylamino)hexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(1-cyclopropylethylamino)hexyl]carbamate
PubChem CID103788606
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Nametert-butyl N-[2-(1-cyclopropylethylamino)hexyl]carbamate
SMILESCCCCC(CNC(=O)OC(C)(C)C)NC(C)C1CC1
InChIInChI=1S/C16H32N2O2/c1-6-7-8-14(18-12(2)13-9-10-13)11-17-15(19)20-16(3,4)5/h12-14,18H,6-11H2,1-5H3,(H,17,19)
InChIKeyPMXWVFKROSRKPX-UHFFFAOYSA-N
XLogP3.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-(1-cyclobutylpropan-2-ylamino)hexyl]carbamate
CID 107256507
tert-butyl N-[2-(1-cyclopropylethylamino)-4-methylpentyl]carbamate
CID 103729667
tert-butyl N-[2-(5-methylhexan-2-ylamino)hexyl]carbamate
CID 107256457
tert-butyl N-[2-(1,1-difluoropropan-2-ylamino)hexyl]carbamate
CID 107256508
tert-butyl N-[2-(cycloheptylamino)hexyl]carbamate
CID 107256430
tert-butyl N-[2-(butylamino)hexyl]carbamate
CID 107256535
tert-butyl N-[2-(octan-4-ylamino)propyl]carbamate
CID 106022993
tert-butyl N-[2-(1-cyclopropylpropan-2-ylamino)pentyl]carbamate
CID 107253597
tert-butyl N-[2-(azetidin-3-ylamino)hexyl]carbamate
CID 107256567
tert-butyl N-[2-(piperidin-4-ylamino)hexyl]carbamate
CID 107256495
tert-butyl N-[2-[[(1S)-1-cyclohexylethyl]amino]propyl]carbamate
CID 103390532
tert-butyl N-[2-(oxepan-4-ylamino)hexyl]carbamate
CID 103894993

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(1-cyclopropylethylamino)hexyl]carbamate?
The IUPAC name of tert-butyl N-[2-(1-cyclopropylethylamino)hexyl]carbamate (CID 103788606) is tert-butyl N-[2-(1-cyclopropylethylamino)hexyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(1-cyclopropylethylamino)hexyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(1-cyclopropylethylamino)hexyl]carbamate is CCCCC(CNC(=O)OC(C)(C)C)NC(C)C1CC1.
What is the InChIKey of tert-butyl N-[2-(1-cyclopropylethylamino)hexyl]carbamate?
The InChIKey is PMXWVFKROSRKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-6-7-8-14(18-12(2)13-9-10-13)11-17-15(19)20-16(3,4)5/h12-14,18H,6-11H2,1-5H3,(H,17,19).
What are the key properties of tert-butyl N-[2-(1-cyclopropylethylamino)hexyl]carbamate?
tert-butyl N-[2-(1-cyclopropylethylamino)hexyl]carbamate has a molecular weight of 284.44 g/mol, XLogP of 3.46, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(1-cyclopropylethylamino)hexyl]carbamate is sourced from PubChem (CID 103788606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).