tert-butyl N-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]propyl]carbamate

C14H30N2O3 — CID 103389494

IUPACtert-butyl N-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]propyl]carbamate
SMILESCC(C)CC(CO)NC(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C14H30N2O3/c1-10(2)7-12(9-17)16-11(3)8-15-13(18)19-14(4,5)6/h10-12,16-17H,7-9H2,1-6H3,(H,15,18)
InChIKeyRLAMXKHIDKYZJX-UHFFFAOYSA-N
MW274.40 g/mol
LogP1.90
Rot. Bonds7

About tert-butyl N-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]propyl]carbamate

tert-butyl N-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]propyl]carbamate (PubChem CID 103389494) has the molecular formula C14H30N2O3 and a molecular weight of 274.40 g/mol. Its IUPAC name is tert-butyl N-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]propyl]carbamate
PubChem CID103389494
Molecular FormulaC14H30N2O3
Molecular Weight274.40 g/mol
Exact Mass274.23
IUPAC Nametert-butyl N-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]propyl]carbamate
SMILESCC(C)CC(CO)NC(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C14H30N2O3/c1-10(2)7-12(9-17)16-11(3)8-15-13(18)19-14(4,5)6/h10-12,16-17H,7-9H2,1-6H3,(H,15,18)
InChIKeyRLAMXKHIDKYZJX-UHFFFAOYSA-N
XLogP1.90
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[[(2S)-1-hydroxybutan-2-yl]amino]propyl]carbamate
CID 103391216
tert-butyl N-[4-methyl-2-(5-methylhexan-2-ylamino)pentyl]carbamate
CID 107252263
tert-butyl N-[2-(propan-2-ylamino)propyl]carbamate
CID 103386965
tert-butyl N-[2-(heptan-4-ylamino)propyl]carbamate
CID 107248426
tert-butyl N-[2-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]propyl]carbamate
CID 107862352
tert-butyl N-[2-(1-hydroxypentan-3-ylamino)propyl]carbamate
CID 103391068
methyl 4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-ylamino]pentanoate
CID 103388232
tert-butyl N-[2-(4-methoxybutan-2-ylamino)-4-methylpentyl]carbamate
CID 103782952
tert-butyl N-[(2S)-1-(methoxycarbonylamino)-4-methylpentan-2-yl]carbamate
CID 110288510
tert-butyl N-[4-methyl-2-(3-methylbutan-2-ylamino)pentyl]carbamate
CID 103782936
tert-butyl N-[2-(4-hydroxypentan-2-ylamino)propyl]carbamate
CID 103390810
tert-butyl N-[2-[(2-hydroxy-4-methylpentyl)amino]propyl]carbamate
CID 107151588

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]propyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]propyl]carbamate (CID 103389494) is tert-butyl N-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]propyl]carbamate is CC(C)CC(CO)NC(C)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]propyl]carbamate?
The InChIKey is RLAMXKHIDKYZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O3/c1-10(2)7-12(9-17)16-11(3)8-15-13(18)19-14(4,5)6/h10-12,16-17H,7-9H2,1-6H3,(H,15,18).
What are the key properties of tert-butyl N-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]propyl]carbamate?
tert-butyl N-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]propyl]carbamate has a molecular weight of 274.40 g/mol, XLogP of 1.90, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]propyl]carbamate is sourced from PubChem (CID 103389494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).