tert-butyl N-[4-methyl-2-(oxan-3-ylamino)pentyl]carbamate

C16H32N2O3 — CID 103782948

IUPACtert-butyl N-[4-methyl-2-(oxan-3-ylamino)pentyl]carbamate
SMILESCC(C)CC(CNC(=O)OC(C)(C)C)NC1CCCOC1
InChIInChI=1S/C16H32N2O3/c1-12(2)9-14(18-13-7-6-8-20-11-13)10-17-15(19)21-16(3,4)5/h12-14,18H,6-11H2,1-5H3,(H,17,19)
InChIKeyJCWWKPGOZWSLKE-UHFFFAOYSA-N
MW300.44 g/mol
LogP2.69
Rot. Bonds6

About tert-butyl N-[4-methyl-2-(oxan-3-ylamino)pentyl]carbamate

tert-butyl N-[4-methyl-2-(oxan-3-ylamino)pentyl]carbamate (PubChem CID 103782948) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is tert-butyl N-[4-methyl-2-(oxan-3-ylamino)pentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-methyl-2-(oxan-3-ylamino)pentyl]carbamate
PubChem CID103782948
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Nametert-butyl N-[4-methyl-2-(oxan-3-ylamino)pentyl]carbamate
SMILESCC(C)CC(CNC(=O)OC(C)(C)C)NC1CCCOC1
InChIInChI=1S/C16H32N2O3/c1-12(2)9-14(18-13-7-6-8-20-11-13)10-17-15(19)21-16(3,4)5/h12-14,18H,6-11H2,1-5H3,(H,17,19)
InChIKeyJCWWKPGOZWSLKE-UHFFFAOYSA-N
XLogP2.69
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-(cyclohexylamino)-4-methylpentyl]carbamate
CID 107252262
tert-butyl N-[4-methyl-2-[(3-methylcyclohexyl)amino]pentyl]carbamate
CID 107252163
tert-butyl N-[2-[(1,1-dioxothian-4-yl)amino]-4-methylpentyl]carbamate
CID 107252296
tert-butyl N-[2-(oxepan-4-ylamino)propyl]carbamate
CID 107248450
tert-butyl N-[2-(oxepan-4-ylamino)hexyl]carbamate
CID 103894993
tert-butyl N-(oxan-3-yl)carbamate
CID 63789746
tert-butyl N-[2-(1-cyclopropylethylamino)-4-methylpentyl]carbamate
CID 103729667
tert-butyl N-[(2S)-1-(methoxycarbonylamino)-4-methylpentan-2-yl]carbamate
CID 110288510
tert-butyl N-[3-methyl-2-[(oxan-4-ylamino)methyl]butyl]carbamate
CID 107441396
tert-butyl N-[2-(cycloheptylamino)propyl]carbamate
CID 103387396
tert-butyl N-(oxan-3-ylmethyl)carbamate
CID 63788882
tert-butyl N-[2-[[3-(2-methylpropyl)cyclohexyl]amino]butyl]carbamate
CID 107428869

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-methyl-2-(oxan-3-ylamino)pentyl]carbamate?
The IUPAC name of tert-butyl N-[4-methyl-2-(oxan-3-ylamino)pentyl]carbamate (CID 103782948) is tert-butyl N-[4-methyl-2-(oxan-3-ylamino)pentyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-methyl-2-(oxan-3-ylamino)pentyl]carbamate?
The canonical SMILES for tert-butyl N-[4-methyl-2-(oxan-3-ylamino)pentyl]carbamate is CC(C)CC(CNC(=O)OC(C)(C)C)NC1CCCOC1.
What is the InChIKey of tert-butyl N-[4-methyl-2-(oxan-3-ylamino)pentyl]carbamate?
The InChIKey is JCWWKPGOZWSLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-12(2)9-14(18-13-7-6-8-20-11-13)10-17-15(19)21-16(3,4)5/h12-14,18H,6-11H2,1-5H3,(H,17,19).
What are the key properties of tert-butyl N-[4-methyl-2-(oxan-3-ylamino)pentyl]carbamate?
tert-butyl N-[4-methyl-2-(oxan-3-ylamino)pentyl]carbamate has a molecular weight of 300.44 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-methyl-2-(oxan-3-ylamino)pentyl]carbamate is sourced from PubChem (CID 103782948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).