tert-butyl N-[2-[[(4-hydroxycyclohexyl)amino]methyl]-3-methylbutyl]carbamate

C17H34N2O3 — CID 107441028

IUPACtert-butyl N-[2-[[(4-hydroxycyclohexyl)amino]methyl]-3-methylbutyl]carbamate
SMILESCC(C)C(CNC(=O)OC(C)(C)C)CNC1CCC(O)CC1
InChIInChI=1S/C17H34N2O3/c1-12(2)13(11-19-16(21)22-17(3,4)5)10-18-14-6-8-15(20)9-7-14/h12-15,18,20H,6-11H2,1-5H3,(H,19,21)
InChIKeyBXCZITLJNCMQFE-UHFFFAOYSA-N
MW314.47 g/mol
LogP2.68
Rot. Bonds6

About tert-butyl N-[2-[[(4-hydroxycyclohexyl)amino]methyl]-3-methylbutyl]carbamate

tert-butyl N-[2-[[(4-hydroxycyclohexyl)amino]methyl]-3-methylbutyl]carbamate (PubChem CID 107441028) has the molecular formula C17H34N2O3 and a molecular weight of 314.47 g/mol. Its IUPAC name is tert-butyl N-[2-[[(4-hydroxycyclohexyl)amino]methyl]-3-methylbutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[(4-hydroxycyclohexyl)amino]methyl]-3-methylbutyl]carbamate
PubChem CID107441028
Molecular FormulaC17H34N2O3
Molecular Weight314.47 g/mol
Exact Mass314.26
IUPAC Nametert-butyl N-[2-[[(4-hydroxycyclohexyl)amino]methyl]-3-methylbutyl]carbamate
SMILESCC(C)C(CNC(=O)OC(C)(C)C)CNC1CCC(O)CC1
InChIInChI=1S/C17H34N2O3/c1-12(2)13(11-19-16(21)22-17(3,4)5)10-18-14-6-8-15(20)9-7-14/h12-15,18,20H,6-11H2,1-5H3,(H,19,21)
InChIKeyBXCZITLJNCMQFE-UHFFFAOYSA-N
XLogP2.68
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[(cyclooctylamino)methyl]-3-methylbutyl]carbamate
CID 107440994
tert-butyl N-[3-methyl-2-[(oxan-4-ylamino)methyl]butyl]carbamate
CID 107441396
tert-butyl N-[2-[(cyclohex-3-en-1-ylamino)methyl]-3-methylbutyl]carbamate
CID 107442378
tert-butyl N-[3-methyl-2-[[(1-methyl-6-oxopiperidin-3-yl)amino]methyl]butyl]carbamate
CID 107442318
tert-butyl N-[1-cyclopropyl-2-[(4-hydroxycyclohexyl)amino]ethyl]carbamate
CID 107243978
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-[(2S)-1-(cyclopropylamino)propan-2-yl]carbamate;hydrochloride
CID 68943833
tert-butyl N-[2-[(2,3-dimethylbutylamino)methyl]-3-methylbutyl]carbamate
CID 107442310
tert-butyl N-[2-[[(2-hydroxy-3-methylbutyl)amino]methyl]-3-methylbutyl]carbamate
CID 107442782
tert-butyl N-[2-(aminooxymethyl)-3-methylbutyl]carbamate
CID 105491434
tert-butyl N-[2-[(but-3-en-2-ylamino)methyl]-3-methylbutyl]carbamate
CID 107442753

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[(4-hydroxycyclohexyl)amino]methyl]-3-methylbutyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[(4-hydroxycyclohexyl)amino]methyl]-3-methylbutyl]carbamate (CID 107441028) is tert-butyl N-[2-[[(4-hydroxycyclohexyl)amino]methyl]-3-methylbutyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[(4-hydroxycyclohexyl)amino]methyl]-3-methylbutyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[(4-hydroxycyclohexyl)amino]methyl]-3-methylbutyl]carbamate is CC(C)C(CNC(=O)OC(C)(C)C)CNC1CCC(O)CC1.
What is the InChIKey of tert-butyl N-[2-[[(4-hydroxycyclohexyl)amino]methyl]-3-methylbutyl]carbamate?
The InChIKey is BXCZITLJNCMQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O3/c1-12(2)13(11-19-16(21)22-17(3,4)5)10-18-14-6-8-15(20)9-7-14/h12-15,18,20H,6-11H2,1-5H3,(H,19,21).
What are the key properties of tert-butyl N-[2-[[(4-hydroxycyclohexyl)amino]methyl]-3-methylbutyl]carbamate?
tert-butyl N-[2-[[(4-hydroxycyclohexyl)amino]methyl]-3-methylbutyl]carbamate has a molecular weight of 314.47 g/mol, XLogP of 2.68, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[(4-hydroxycyclohexyl)amino]methyl]-3-methylbutyl]carbamate is sourced from PubChem (CID 107441028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).