tert-butyl N-[2-[[(1S)-1-cyclohexylethyl]amino]propyl]carbamate

C16H32N2O2 — CID 103390532

IUPACtert-butyl N-[2-[[(1S)-1-cyclohexylethyl]amino]propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)N[C@@H](C)C1CCCCC1
InChIInChI=1S/C16H32N2O2/c1-12(11-17-15(19)20-16(3,4)5)18-13(2)14-9-7-6-8-10-14/h12-14,18H,6-11H2,1-5H3,(H,17,19)/t12?,13-/m0/s1
InChIKeyLSHBXSVBLQKDMQ-ABLWVSNPSA-N
MW284.44 g/mol
LogP3.46
Rot. Bonds5

About tert-butyl N-[2-[[(1S)-1-cyclohexylethyl]amino]propyl]carbamate

tert-butyl N-[2-[[(1S)-1-cyclohexylethyl]amino]propyl]carbamate (PubChem CID 103390532) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is tert-butyl N-[2-[[(1S)-1-cyclohexylethyl]amino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[(1S)-1-cyclohexylethyl]amino]propyl]carbamate
PubChem CID103390532
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Nametert-butyl N-[2-[[(1S)-1-cyclohexylethyl]amino]propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)N[C@@H](C)C1CCCCC1
InChIInChI=1S/C16H32N2O2/c1-12(11-17-15(19)20-16(3,4)5)18-13(2)14-9-7-6-8-10-14/h12-14,18H,6-11H2,1-5H3,(H,17,19)/t12?,13-/m0/s1
InChIKeyLSHBXSVBLQKDMQ-ABLWVSNPSA-N
XLogP3.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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-(propan-2-ylamino)propyl]carbamate
CID 103386965
tert-butyl N-[2-(cycloheptylamino)propyl]carbamate
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tert-butyl N-[2-[1-(1-ethylpiperidin-3-yl)ethylamino]propyl]carbamate
CID 107248541
tert-butyl N-[2-cyclohexyl-2-(3-methylbutan-2-ylamino)ethyl]carbamate
CID 107252527
tert-butyl N-[2-(1-cyclopropylethylamino)-4-methylpentyl]carbamate
CID 103729667
tert-butyl N-[2-cyclohexyl-2-(pentan-3-ylamino)ethyl]carbamate
CID 107252504
tert-butyl N-[2-(cyclopentylmethylamino)propyl]carbamate
CID 103387805
2-cyclohexyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 70184619
tert-butyl N-[2-cyclopentyl-2-(3,3-dimethylbutylamino)ethyl]carbamate
CID 107254500
tert-butyl N-[2-(cyclohexylamino)-4-methylpentyl]carbamate
CID 107252262
tert-butyl N-[2-(1-cyclopropylethylamino)hexyl]carbamate
CID 103788606
tert-butyl N-[2-(butan-2-ylamino)-2-cyclopropylethyl]carbamate
CID 103785747

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[(1S)-1-cyclohexylethyl]amino]propyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[(1S)-1-cyclohexylethyl]amino]propyl]carbamate (CID 103390532) is tert-butyl N-[2-[[(1S)-1-cyclohexylethyl]amino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[(1S)-1-cyclohexylethyl]amino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[(1S)-1-cyclohexylethyl]amino]propyl]carbamate is CC(CNC(=O)OC(C)(C)C)N[C@@H](C)C1CCCCC1.
What is the InChIKey of tert-butyl N-[2-[[(1S)-1-cyclohexylethyl]amino]propyl]carbamate?
The InChIKey is LSHBXSVBLQKDMQ-ABLWVSNPSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-12(11-17-15(19)20-16(3,4)5)18-13(2)14-9-7-6-8-10-14/h12-14,18H,6-11H2,1-5H3,(H,17,19)/t12?,13-/m0/s1.
What are the key properties of tert-butyl N-[2-[[(1S)-1-cyclohexylethyl]amino]propyl]carbamate?
tert-butyl N-[2-[[(1S)-1-cyclohexylethyl]amino]propyl]carbamate has a molecular weight of 284.44 g/mol, XLogP of 3.46, 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-[[(1S)-1-cyclohexylethyl]amino]propyl]carbamate is sourced from PubChem (CID 103390532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).