tert-butyl N-[2-(1-cyclopropylethylamino)-4-methylpentyl]carbamate

C16H32N2O2 — CID 103729667

IUPACtert-butyl N-[2-(1-cyclopropylethylamino)-4-methylpentyl]carbamate
SMILESCC(C)CC(CNC(=O)OC(C)(C)C)NC(C)C1CC1
InChIInChI=1S/C16H32N2O2/c1-11(2)9-14(18-12(3)13-7-8-13)10-17-15(19)20-16(4,5)6/h11-14,18H,7-10H2,1-6H3,(H,17,19)
InChIKeyWADNOQUSAUILDT-UHFFFAOYSA-N
MW284.44 g/mol
LogP3.31
Rot. Bonds7

About tert-butyl N-[2-(1-cyclopropylethylamino)-4-methylpentyl]carbamate

tert-butyl N-[2-(1-cyclopropylethylamino)-4-methylpentyl]carbamate (PubChem CID 103729667) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is tert-butyl N-[2-(1-cyclopropylethylamino)-4-methylpentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(1-cyclopropylethylamino)-4-methylpentyl]carbamate
PubChem CID103729667
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Nametert-butyl N-[2-(1-cyclopropylethylamino)-4-methylpentyl]carbamate
SMILESCC(C)CC(CNC(=O)OC(C)(C)C)NC(C)C1CC1
InChIInChI=1S/C16H32N2O2/c1-11(2)9-14(18-12(3)13-7-8-13)10-17-15(19)20-16(4,5)6/h11-14,18H,7-10H2,1-6H3,(H,17,19)
InChIKeyWADNOQUSAUILDT-UHFFFAOYSA-N
XLogP3.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-(1-cyclopropylethylamino)hexyl]carbamate
CID 103788606
tert-butyl N-[4-methyl-2-(3-methylbutan-2-ylamino)pentyl]carbamate
CID 103782936
tert-butyl N-[2-[[(1S)-1-cyclohexylethyl]amino]propyl]carbamate
CID 103390532
tert-butyl N-[2-(cyclohexylamino)-4-methylpentyl]carbamate
CID 107252262
tert-butyl N-[4-methyl-2-(5-methylhexan-2-ylamino)pentyl]carbamate
CID 107252263
tert-butyl N-[(2S)-1-(methoxycarbonylamino)-4-methylpentan-2-yl]carbamate
CID 110288510
tert-butyl N-[2-(3-methoxybutan-2-ylamino)-4-methylpentyl]carbamate
CID 103782950
tert-butyl N-[2-(1,1-dimethoxypropan-2-ylamino)-4-methylpentyl]carbamate
CID 107252224
tert-butyl N-[2-[(1,1-dioxothian-4-yl)amino]-4-methylpentyl]carbamate
CID 107252296
tert-butyl N-[(2S)-2-amino-2-cyclopropylethyl]carbamate
CID 67446222
tert-butyl N-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]propyl]carbamate
CID 103389494
tert-butyl N-[2-(4-methoxybutan-2-ylamino)-4-methylpentyl]carbamate
CID 103782952

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(1-cyclopropylethylamino)-4-methylpentyl]carbamate?
The IUPAC name of tert-butyl N-[2-(1-cyclopropylethylamino)-4-methylpentyl]carbamate (CID 103729667) is tert-butyl N-[2-(1-cyclopropylethylamino)-4-methylpentyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(1-cyclopropylethylamino)-4-methylpentyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(1-cyclopropylethylamino)-4-methylpentyl]carbamate is CC(C)CC(CNC(=O)OC(C)(C)C)NC(C)C1CC1.
What is the InChIKey of tert-butyl N-[2-(1-cyclopropylethylamino)-4-methylpentyl]carbamate?
The InChIKey is WADNOQUSAUILDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-11(2)9-14(18-12(3)13-7-8-13)10-17-15(19)20-16(4,5)6/h11-14,18H,7-10H2,1-6H3,(H,17,19).
What are the key properties of tert-butyl N-[2-(1-cyclopropylethylamino)-4-methylpentyl]carbamate?
tert-butyl N-[2-(1-cyclopropylethylamino)-4-methylpentyl]carbamate has a molecular weight of 284.44 g/mol, XLogP of 3.31, 7 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)-4-methylpentyl]carbamate is sourced from PubChem (CID 103729667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).