tert-butyl N-[2-[(2-hydroxy-4-methylpentyl)amino]propyl]carbamate

C14H30N2O3 — CID 107151588

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

About tert-butyl N-[2-[(2-hydroxy-4-methylpentyl)amino]propyl]carbamate

tert-butyl N-[2-[(2-hydroxy-4-methylpentyl)amino]propyl]carbamate (PubChem CID 107151588) has the molecular formula C14H30N2O3 and a molecular weight of 274.40 g/mol. Its IUPAC name is tert-butyl N-[2-[(2-hydroxy-4-methylpentyl)amino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(2-hydroxy-4-methylpentyl)amino]propyl]carbamate
PubChem CID107151588
Molecular FormulaC14H30N2O3
Molecular Weight274.40 g/mol
Exact Mass274.23
IUPAC Nametert-butyl N-[2-[(2-hydroxy-4-methylpentyl)amino]propyl]carbamate
SMILESCC(C)CC(O)CNC(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C14H30N2O3/c1-10(2)7-12(17)9-15-11(3)8-16-13(18)19-14(4,5)6/h10-12,15,17H,7-9H2,1-6H3,(H,16,18)
InChIKeyCCENRDBNWSCUKZ-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-[[2-(dimethylamino)-4-methylpentyl]amino]propyl]carbamate
CID 103387660
tert-butyl N-[(2S)-2-(ethylamino)propyl]carbamate
CID 59438683
tert-butyl N-[2-(2-methylbutylamino)propyl]carbamate
CID 103389833
tert-butyl N-[2-[2-(dimethylamino)propylamino]propyl]carbamate
CID 103389411
tert-butyl N-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]propyl]carbamate
CID 103389494
tert-butyl N-[2-(2-methoxyethylamino)propyl]carbamate
CID 103386968
tert-butyl N-[2-(4-hydroxypentan-2-ylamino)propyl]carbamate
CID 103390810
tert-butyl N-[(3R)-3-(2-methylpropylamino)butyl]carbamate
CID 90685255
tert-butyl N-[2-(3,3,3-trifluoropropylamino)propyl]carbamate
CID 103389896
tert-butyl N-[2-(propan-2-ylamino)propyl]carbamate
CID 103386965
tert-butyl N-[2-[(4-hydroxypentan-2-ylamino)methyl]-3-methylbutyl]carbamate
CID 107442650
tert-butyl N-[2-[2-(3-methylbutoxy)ethylamino]propyl]carbamate
CID 103389692

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(2-hydroxy-4-methylpentyl)amino]propyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(2-hydroxy-4-methylpentyl)amino]propyl]carbamate (CID 107151588) is tert-butyl N-[2-[(2-hydroxy-4-methylpentyl)amino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(2-hydroxy-4-methylpentyl)amino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(2-hydroxy-4-methylpentyl)amino]propyl]carbamate is CC(C)CC(O)CNC(C)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[(2-hydroxy-4-methylpentyl)amino]propyl]carbamate?
The InChIKey is CCENRDBNWSCUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O3/c1-10(2)7-12(17)9-15-11(3)8-16-13(18)19-14(4,5)6/h10-12,15,17H,7-9H2,1-6H3,(H,16,18).
What are the key properties of tert-butyl N-[2-[(2-hydroxy-4-methylpentyl)amino]propyl]carbamate?
tert-butyl N-[2-[(2-hydroxy-4-methylpentyl)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-[(2-hydroxy-4-methylpentyl)amino]propyl]carbamate is sourced from PubChem (CID 107151588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).