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

C16H32N2O3 — CID 107441396

IUPACtert-butyl N-[3-methyl-2-[(oxan-4-ylamino)methyl]butyl]carbamate
SMILESCC(C)C(CNC(=O)OC(C)(C)C)CNC1CCOCC1
InChIInChI=1S/C16H32N2O3/c1-12(2)13(10-17-14-6-8-20-9-7-14)11-18-15(19)21-16(3,4)5/h12-14,17H,6-11H2,1-5H3,(H,18,19)
InChIKeyNHAMXFLTNLDUOW-UHFFFAOYSA-N
MW300.44 g/mol
LogP2.55
Rot. Bonds6

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

tert-butyl N-[3-methyl-2-[(oxan-4-ylamino)methyl]butyl]carbamate (PubChem CID 107441396) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is tert-butyl N-[3-methyl-2-[(oxan-4-ylamino)methyl]butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-methyl-2-[(oxan-4-ylamino)methyl]butyl]carbamate
PubChem CID107441396
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Nametert-butyl N-[3-methyl-2-[(oxan-4-ylamino)methyl]butyl]carbamate
SMILESCC(C)C(CNC(=O)OC(C)(C)C)CNC1CCOCC1
InChIInChI=1S/C16H32N2O3/c1-12(2)13(10-17-14-6-8-20-9-7-14)11-18-15(19)21-16(3,4)5/h12-14,17H,6-11H2,1-5H3,(H,18,19)
InChIKeyNHAMXFLTNLDUOW-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[(cyclooctylamino)methyl]-3-methylbutyl]carbamate
CID 107440994
tert-butyl N-[2-[[(4-hydroxycyclohexyl)amino]methyl]-3-methylbutyl]carbamate
CID 107441028
tert-butyl N-[2-[(cyclohex-3-en-1-ylamino)methyl]-3-methylbutyl]carbamate
CID 107442378
tert-butyl N-[2-(oxan-4-ylamino)ethyl]carbamate
CID 58117128
tert-butyl N-[2-(oxepan-4-ylamino)propyl]carbamate
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tert-butyl N-[3-methyl-2-[[(1-methyl-6-oxopiperidin-3-yl)amino]methyl]butyl]carbamate
CID 107442318
N-methyl-N'-(oxan-4-yl)-2-propan-2-ylpropane-1,3-diamine
CID 115252718
tert-butyl N-[2-[[(2,6-dioxopiperidin-3-yl)amino]methyl]-3-methylbutyl]carbamate
CID 107442391
tert-butyl N-[2-[[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]methyl]-3-methylbutyl]carbamate
CID 126816079
tert-butyl N-[2-(oxepan-4-ylamino)hexyl]carbamate
CID 103894993
tert-butyl N-[4-methyl-2-(oxan-3-ylamino)pentyl]carbamate
CID 103782948
tert-butyl N-[2-[(2,3-dimethylbutylamino)methyl]-3-methylbutyl]carbamate
CID 107442310

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-methyl-2-[(oxan-4-ylamino)methyl]butyl]carbamate?
The IUPAC name of tert-butyl N-[3-methyl-2-[(oxan-4-ylamino)methyl]butyl]carbamate (CID 107441396) is tert-butyl N-[3-methyl-2-[(oxan-4-ylamino)methyl]butyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-methyl-2-[(oxan-4-ylamino)methyl]butyl]carbamate?
The canonical SMILES for tert-butyl N-[3-methyl-2-[(oxan-4-ylamino)methyl]butyl]carbamate is CC(C)C(CNC(=O)OC(C)(C)C)CNC1CCOCC1.
What is the InChIKey of tert-butyl N-[3-methyl-2-[(oxan-4-ylamino)methyl]butyl]carbamate?
The InChIKey is NHAMXFLTNLDUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-12(2)13(10-17-14-6-8-20-9-7-14)11-18-15(19)21-16(3,4)5/h12-14,17H,6-11H2,1-5H3,(H,18,19).
What are the key properties of tert-butyl N-[3-methyl-2-[(oxan-4-ylamino)methyl]butyl]carbamate?
tert-butyl N-[3-methyl-2-[(oxan-4-ylamino)methyl]butyl]carbamate has a molecular weight of 300.44 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-methyl-2-[(oxan-4-ylamino)methyl]butyl]carbamate is sourced from PubChem (CID 107441396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).