tert-butyl N-[4-(heptan-3-ylamino)butan-2-yl]carbamate

C16H34N2O2 — CID 103901691

IUPACtert-butyl N-[4-(heptan-3-ylamino)butan-2-yl]carbamate
SMILESCCCCC(CC)NCCC(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H34N2O2/c1-7-9-10-14(8-2)17-12-11-13(3)18-15(19)20-16(4,5)6/h13-14,17H,7-12H2,1-6H3,(H,18,19)
InChIKeyFMDBFIPEVWAFKF-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.85
Rot. Bonds9

About tert-butyl N-[4-(heptan-3-ylamino)butan-2-yl]carbamate

tert-butyl N-[4-(heptan-3-ylamino)butan-2-yl]carbamate (PubChem CID 103901691) has the molecular formula C16H34N2O2 and a molecular weight of 286.46 g/mol. Its IUPAC name is tert-butyl N-[4-(heptan-3-ylamino)butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(heptan-3-ylamino)butan-2-yl]carbamate
PubChem CID103901691
Molecular FormulaC16H34N2O2
Molecular Weight286.46 g/mol
Exact Mass286.26
IUPAC Nametert-butyl N-[4-(heptan-3-ylamino)butan-2-yl]carbamate
SMILESCCCCC(CC)NCCC(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H34N2O2/c1-7-9-10-14(8-2)17-12-11-13(3)18-15(19)20-16(4,5)6/h13-14,17H,7-12H2,1-6H3,(H,18,19)
InChIKeyFMDBFIPEVWAFKF-UHFFFAOYSA-N
XLogP3.85
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(2R)-heptan-2-yl]carbamate
CID 25171533
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tert-butyl N-decan-5-ylcarbamate
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tert-butyl N-[2-(butylamino)hexyl]carbamate
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tert-butyl N-[4-(4-methylpentan-2-ylamino)butan-2-yl]carbamate
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2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]propanoic acid
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tert-butyl N-[4-(6,6,6-trifluorohexan-2-ylamino)butan-2-yl]carbamate
CID 104925089
tert-butyl N-[3-(octan-4-ylamino)propyl]carbamate
CID 106023862
tert-butyl N-(3,3-dideuteriooctan-4-yl)carbamate
CID 175838428
methyl (2S)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]hexanoate
CID 162512524
tert-butyl N-[1-(hexan-2-ylamino)-2-methylpropan-2-yl]carbamate
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CID 106022993

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(heptan-3-ylamino)butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-(heptan-3-ylamino)butan-2-yl]carbamate (CID 103901691) is tert-butyl N-[4-(heptan-3-ylamino)butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(heptan-3-ylamino)butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-(heptan-3-ylamino)butan-2-yl]carbamate is CCCCC(CC)NCCC(C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-(heptan-3-ylamino)butan-2-yl]carbamate?
The InChIKey is FMDBFIPEVWAFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O2/c1-7-9-10-14(8-2)17-12-11-13(3)18-15(19)20-16(4,5)6/h13-14,17H,7-12H2,1-6H3,(H,18,19).
What are the key properties of tert-butyl N-[4-(heptan-3-ylamino)butan-2-yl]carbamate?
tert-butyl N-[4-(heptan-3-ylamino)butan-2-yl]carbamate has a molecular weight of 286.46 g/mol, XLogP of 3.85, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(heptan-3-ylamino)butan-2-yl]carbamate is sourced from PubChem (CID 103901691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).