tert-butyl N-[1-(heptylamino)-2-methylpropan-2-yl]carbamate

C16H34N2O2 — CID 107250019

IUPACtert-butyl N-[1-(heptylamino)-2-methylpropan-2-yl]carbamate
SMILESCCCCCCCNCC(C)(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H34N2O2/c1-7-8-9-10-11-12-17-13-16(5,6)18-14(19)20-15(2,3)4/h17H,7-13H2,1-6H3,(H,18,19)
InChIKeyXFJDQGKLRURVCK-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.85
Rot. Bonds9

About tert-butyl N-[1-(heptylamino)-2-methylpropan-2-yl]carbamate

tert-butyl N-[1-(heptylamino)-2-methylpropan-2-yl]carbamate (PubChem CID 107250019) has the molecular formula C16H34N2O2 and a molecular weight of 286.46 g/mol. Its IUPAC name is tert-butyl N-[1-(heptylamino)-2-methylpropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(heptylamino)-2-methylpropan-2-yl]carbamate
PubChem CID107250019
Molecular FormulaC16H34N2O2
Molecular Weight286.46 g/mol
Exact Mass286.26
IUPAC Nametert-butyl N-[1-(heptylamino)-2-methylpropan-2-yl]carbamate
SMILESCCCCCCCNCC(C)(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H34N2O2/c1-7-8-9-10-11-12-17-13-16(5,6)18-14(19)20-15(2,3)4/h17H,7-13H2,1-6H3,(H,18,19)
InChIKeyXFJDQGKLRURVCK-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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tert-butyl N-[4-(hexylamino)butyl]carbamate;2,2,2-trifluoroacetaldehyde
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tert-butyl N-[6-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylamino]hexyl]carbamate
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tert-butyl N-[3-(dodecylamino)-2,2-dimethyl-3-oxopropyl]carbamate
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tert-butyl N-[2-[2-(pentylamino)ethoxy]ethyl]carbamate
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CID 103788233

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(heptylamino)-2-methylpropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(heptylamino)-2-methylpropan-2-yl]carbamate (CID 107250019) is tert-butyl N-[1-(heptylamino)-2-methylpropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(heptylamino)-2-methylpropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(heptylamino)-2-methylpropan-2-yl]carbamate is CCCCCCCNCC(C)(C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-(heptylamino)-2-methylpropan-2-yl]carbamate?
The InChIKey is XFJDQGKLRURVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O2/c1-7-8-9-10-11-12-17-13-16(5,6)18-14(19)20-15(2,3)4/h17H,7-13H2,1-6H3,(H,18,19).
What are the key properties of tert-butyl N-[1-(heptylamino)-2-methylpropan-2-yl]carbamate?
tert-butyl N-[1-(heptylamino)-2-methylpropan-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-[1-(heptylamino)-2-methylpropan-2-yl]carbamate is sourced from PubChem (CID 107250019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).