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

C16H35N3O2 — CID 103387660

IUPACtert-butyl N-[2-[[2-(dimethylamino)-4-methylpentyl]amino]propyl]carbamate
SMILESCC(C)CC(CNC(C)CNC(=O)OC(C)(C)C)N(C)C
InChIInChI=1S/C16H35N3O2/c1-12(2)9-14(19(7)8)11-17-13(3)10-18-15(20)21-16(4,5)6/h12-14,17H,9-11H2,1-8H3,(H,18,20)
InChIKeyFRAZADDEUIKZTR-UHFFFAOYSA-N
MW301.48 g/mol
LogP2.47
Rot. Bonds8

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

tert-butyl N-[2-[[2-(dimethylamino)-4-methylpentyl]amino]propyl]carbamate (PubChem CID 103387660) has the molecular formula C16H35N3O2 and a molecular weight of 301.48 g/mol. Its IUPAC name is tert-butyl N-[2-[[2-(dimethylamino)-4-methylpentyl]amino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[2-(dimethylamino)-4-methylpentyl]amino]propyl]carbamate
PubChem CID103387660
Molecular FormulaC16H35N3O2
Molecular Weight301.48 g/mol
Exact Mass301.27
IUPAC Nametert-butyl N-[2-[[2-(dimethylamino)-4-methylpentyl]amino]propyl]carbamate
SMILESCC(C)CC(CNC(C)CNC(=O)OC(C)(C)C)N(C)C
InChIInChI=1S/C16H35N3O2/c1-12(2)9-14(19(7)8)11-17-13(3)10-18-15(20)21-16(4,5)6/h12-14,17H,9-11H2,1-8H3,(H,18,20)
InChIKeyFRAZADDEUIKZTR-UHFFFAOYSA-N
XLogP2.47
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.48
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[2-(dimethylamino)propylamino]propyl]carbamate
CID 103389411
tert-butyl N-[2-[(2-hydroxy-4-methylpentyl)amino]propyl]carbamate
CID 107151588
tert-butyl N-[(2S)-2-(ethylamino)propyl]carbamate
CID 59438683
tert-butyl N-[2-(2-methylsulfinylethylamino)propyl]carbamate
CID 103390998
tert-butyl N-[2-(2-methylbutylamino)propyl]carbamate
CID 103389833
tert-butyl N-[2-(propan-2-ylamino)propyl]carbamate
CID 103386965
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-[(3R)-3-(2-methylpropylamino)butyl]carbamate
CID 90685255
tert-butyl N-[2-(3,3,3-trifluoropropylamino)propyl]carbamate
CID 103389896
tert-butyl N-[2-[2-(3-methylbutoxy)ethylamino]propyl]carbamate
CID 103389692
methyl 4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-ylamino]pentanoate
CID 103388232

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[2-(dimethylamino)-4-methylpentyl]amino]propyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[2-(dimethylamino)-4-methylpentyl]amino]propyl]carbamate (CID 103387660) is tert-butyl N-[2-[[2-(dimethylamino)-4-methylpentyl]amino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[2-(dimethylamino)-4-methylpentyl]amino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[2-(dimethylamino)-4-methylpentyl]amino]propyl]carbamate is CC(C)CC(CNC(C)CNC(=O)OC(C)(C)C)N(C)C.
What is the InChIKey of tert-butyl N-[2-[[2-(dimethylamino)-4-methylpentyl]amino]propyl]carbamate?
The InChIKey is FRAZADDEUIKZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3O2/c1-12(2)9-14(19(7)8)11-17-13(3)10-18-15(20)21-16(4,5)6/h12-14,17H,9-11H2,1-8H3,(H,18,20).
What are the key properties of tert-butyl N-[2-[[2-(dimethylamino)-4-methylpentyl]amino]propyl]carbamate?
tert-butyl N-[2-[[2-(dimethylamino)-4-methylpentyl]amino]propyl]carbamate has a molecular weight of 301.48 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[2-(dimethylamino)-4-methylpentyl]amino]propyl]carbamate is sourced from PubChem (CID 103387660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).