tert-butyl N-[2-(heptan-4-ylamino)propyl]carbamate

C15H32N2O2 — CID 107248426

IUPACtert-butyl N-[2-(heptan-4-ylamino)propyl]carbamate
SMILESCCCC(CCC)NC(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C15H32N2O2/c1-7-9-13(10-8-2)17-12(3)11-16-14(18)19-15(4,5)6/h12-13,17H,7-11H2,1-6H3,(H,16,18)
InChIKeyAMDXJPMPKWXACF-UHFFFAOYSA-N
MW272.43 g/mol
LogP3.46
Rot. Bonds8

About tert-butyl N-[2-(heptan-4-ylamino)propyl]carbamate

tert-butyl N-[2-(heptan-4-ylamino)propyl]carbamate (PubChem CID 107248426) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is tert-butyl N-[2-(heptan-4-ylamino)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(heptan-4-ylamino)propyl]carbamate
PubChem CID107248426
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC Nametert-butyl N-[2-(heptan-4-ylamino)propyl]carbamate
SMILESCCCC(CCC)NC(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C15H32N2O2/c1-7-9-13(10-8-2)17-12(3)11-16-14(18)19-15(4,5)6/h12-13,17H,7-11H2,1-6H3,(H,16,18)
InChIKeyAMDXJPMPKWXACF-UHFFFAOYSA-N
XLogP3.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-(octan-4-ylamino)propyl]carbamate
CID 106022993
tert-butyl N-[2-(1-hydroxypentan-3-ylamino)propyl]carbamate
CID 103391068
tert-butyl N-[2-[[(2S)-1-hydroxybutan-2-yl]amino]propyl]carbamate
CID 103391216
tert-butyl N-[2-(1-cyclopropylpropan-2-ylamino)pentyl]carbamate
CID 107253597
tert-butyl N-[2-(2-ethylbutylamino)pentyl]carbamate
CID 107253795
tert-butyl N-[2-(propan-2-ylamino)propyl]carbamate
CID 103386965
tert-butyl N-[2-(1,1-difluoropropan-2-ylamino)pentyl]carbamate
CID 107253648
tert-butyl N-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]propyl]carbamate
CID 103389494
tert-butyl N-[2-(5-methylhexan-2-ylamino)hexyl]carbamate
CID 107256457
tert-butyl N-[2-(1-ethoxyethylamino)propyl]carbamate
CID 167219816
tert-butyl N-[4-methyl-2-(5-methylhexan-2-ylamino)pentyl]carbamate
CID 107252263
tert-butyl N-[(2S)-2-(ethylamino)propyl]carbamate
CID 59438683

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(heptan-4-ylamino)propyl]carbamate?
The IUPAC name of tert-butyl N-[2-(heptan-4-ylamino)propyl]carbamate (CID 107248426) is tert-butyl N-[2-(heptan-4-ylamino)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(heptan-4-ylamino)propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(heptan-4-ylamino)propyl]carbamate is CCCC(CCC)NC(C)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(heptan-4-ylamino)propyl]carbamate?
The InChIKey is AMDXJPMPKWXACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2/c1-7-9-13(10-8-2)17-12(3)11-16-14(18)19-15(4,5)6/h12-13,17H,7-11H2,1-6H3,(H,16,18).
What are the key properties of tert-butyl N-[2-(heptan-4-ylamino)propyl]carbamate?
tert-butyl N-[2-(heptan-4-ylamino)propyl]carbamate has a molecular weight of 272.43 g/mol, XLogP of 3.46, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(heptan-4-ylamino)propyl]carbamate is sourced from PubChem (CID 107248426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).