tert-butyl N-amino-N-nonan-3-ylcarbamate

C14H30N2O2 — CID 175727450

IUPACtert-butyl N-amino-N-nonan-3-ylcarbamate
SMILESCCCCCCC(CC)N(N)C(=O)OC(C)(C)C
InChIInChI=1S/C14H30N2O2/c1-6-8-9-10-11-12(7-2)16(15)13(17)18-14(3,4)5/h12H,6-11,15H2,1-5H3
InChIKeyRHTWQKMSBQCKNP-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.85
Rot. Bonds7

About tert-butyl N-amino-N-nonan-3-ylcarbamate

tert-butyl N-amino-N-nonan-3-ylcarbamate (PubChem CID 175727450) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is tert-butyl N-amino-N-nonan-3-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-amino-N-nonan-3-ylcarbamate
PubChem CID175727450
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Nametert-butyl N-amino-N-nonan-3-ylcarbamate
SMILESCCCCCCC(CC)N(N)C(=O)OC(C)(C)C
InChIInChI=1S/C14H30N2O2/c1-6-8-9-10-11-12(7-2)16(15)13(17)18-14(3,4)5/h12H,6-11,15H2,1-5H3
InChIKeyRHTWQKMSBQCKNP-UHFFFAOYSA-N
XLogP3.85
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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tert-butyl 2-propyldecanoate
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tert-butyl 2-aminooctadecanoate
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tert-butyl N-decan-3-yl-N-(1,3-thiazol-5-yl)carbamate
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tert-butyl (2R,3S)-3-hydroxy-2-pentylnonanoate
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4-O-tert-butyl 1-O-methyl 3-ethyl-2-hexylbutanedioate
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tert-butyl N-nonan-4-yl-N-(2-oxoethyl)carbamate
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tert-butyl N-[2-[[(2-methylpropan-2-yl)oxycarbonyl-pentylamino]methyl]nonyl]-N-pentylcarbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-amino-N-nonan-3-ylcarbamate?
The IUPAC name of tert-butyl N-amino-N-nonan-3-ylcarbamate (CID 175727450) is tert-butyl N-amino-N-nonan-3-ylcarbamate.
What is the SMILES notation for tert-butyl N-amino-N-nonan-3-ylcarbamate?
The canonical SMILES for tert-butyl N-amino-N-nonan-3-ylcarbamate is CCCCCCC(CC)N(N)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-amino-N-nonan-3-ylcarbamate?
The InChIKey is RHTWQKMSBQCKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-6-8-9-10-11-12(7-2)16(15)13(17)18-14(3,4)5/h12H,6-11,15H2,1-5H3.
What are the key properties of tert-butyl N-amino-N-nonan-3-ylcarbamate?
tert-butyl N-amino-N-nonan-3-ylcarbamate has a molecular weight of 258.41 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-amino-N-nonan-3-ylcarbamate is sourced from PubChem (CID 175727450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).