tert-butyl N-[4-amino-3-(5-hydroxypentan-2-ylamino)butyl]carbamate

C14H31N3O3 — CID 102730359

IUPACtert-butyl N-[4-amino-3-(5-hydroxypentan-2-ylamino)butyl]carbamate
SMILESCC(CCCO)NC(CN)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C14H31N3O3/c1-11(6-5-9-18)17-12(10-15)7-8-16-13(19)20-14(2,3)4/h11-12,17-18H,5-10,15H2,1-4H3,(H,16,19)
InChIKeyCAMRXZREHLBXAW-UHFFFAOYSA-N
MW289.42 g/mol
LogP0.98
Rot. Bonds9

About tert-butyl N-[4-amino-3-(5-hydroxypentan-2-ylamino)butyl]carbamate

tert-butyl N-[4-amino-3-(5-hydroxypentan-2-ylamino)butyl]carbamate (PubChem CID 102730359) has the molecular formula C14H31N3O3 and a molecular weight of 289.42 g/mol. Its IUPAC name is tert-butyl N-[4-amino-3-(5-hydroxypentan-2-ylamino)butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-amino-3-(5-hydroxypentan-2-ylamino)butyl]carbamate
PubChem CID102730359
Molecular FormulaC14H31N3O3
Molecular Weight289.42 g/mol
Exact Mass289.24
IUPAC Nametert-butyl N-[4-amino-3-(5-hydroxypentan-2-ylamino)butyl]carbamate
SMILESCC(CCCO)NC(CN)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C14H31N3O3/c1-11(6-5-9-18)17-12(10-15)7-8-16-13(19)20-14(2,3)4/h11-12,17-18H,5-10,15H2,1-4H3,(H,16,19)
InChIKeyCAMRXZREHLBXAW-UHFFFAOYSA-N
XLogP0.98
TPSA96.61 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 50.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[4-amino-3-(5-hydroxypentan-2-ylamino)butan-2-yl]carbamate
CID 102730361
tert-butyl N-[2-(5-hydroxypentan-2-ylamino)-3-phenylpropyl]carbamate
CID 136561418
tert-butyl N-[4-amino-3-(cyclopentylamino)butyl]carbamate
CID 102730201
tert-butyl N-[(2S)-1-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamate
CID 57440197
tert-butyl N-[(4S)-5-amino-3-hydroxy-4-methylpentyl]carbamate
CID 175626004
tert-butyl N-[3-(1-aminopropan-2-ylamino)propyl]carbamate
CID 107241253
tert-butyl N-[2-(1-hydroxypentan-3-ylamino)propyl]carbamate
CID 103391068
tert-butyl N-[4-methyl-2-(5-methylhexan-2-ylamino)pentyl]carbamate
CID 107252263
tert-butyl N-[4-amino-3-(4-hydroxybutan-2-ylamino)butan-2-yl]carbamate
CID 102730417
tert-butyl N-[5-methoxy-4-(5-methylhexan-2-ylamino)pentyl]carbamate
CID 103387404
tert-butyl N-[3-(2-hydroxyethoxy)butyl]carbamate
CID 89426613
tert-butyl N-[(5S)-5,6-diaminohexyl]carbamate
CID 10704705

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-amino-3-(5-hydroxypentan-2-ylamino)butyl]carbamate?
The IUPAC name of tert-butyl N-[4-amino-3-(5-hydroxypentan-2-ylamino)butyl]carbamate (CID 102730359) is tert-butyl N-[4-amino-3-(5-hydroxypentan-2-ylamino)butyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-amino-3-(5-hydroxypentan-2-ylamino)butyl]carbamate?
The canonical SMILES for tert-butyl N-[4-amino-3-(5-hydroxypentan-2-ylamino)butyl]carbamate is CC(CCCO)NC(CN)CCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-amino-3-(5-hydroxypentan-2-ylamino)butyl]carbamate?
The InChIKey is CAMRXZREHLBXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O3/c1-11(6-5-9-18)17-12(10-15)7-8-16-13(19)20-14(2,3)4/h11-12,17-18H,5-10,15H2,1-4H3,(H,16,19).
What are the key properties of tert-butyl N-[4-amino-3-(5-hydroxypentan-2-ylamino)butyl]carbamate?
tert-butyl N-[4-amino-3-(5-hydroxypentan-2-ylamino)butyl]carbamate has a molecular weight of 289.42 g/mol, XLogP of 0.98, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-amino-3-(5-hydroxypentan-2-ylamino)butyl]carbamate is sourced from PubChem (CID 102730359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).