propan-2-yl N-(4-aminobutan-2-yl)carbamate

C8H18N2O2 — CID 62094213

IUPACpropan-2-yl N-(4-aminobutan-2-yl)carbamate
SMILESCC(CCN)NC(=O)OC(C)C
InChIInChI=1S/C8H18N2O2/c1-6(2)12-8(11)10-7(3)4-5-9/h6-7H,4-5,9H2,1-3H3,(H,10,11)
InChIKeyWZBPAGCBCVOOEU-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.86
Rot. Bonds4

About propan-2-yl N-(4-aminobutan-2-yl)carbamate

propan-2-yl N-(4-aminobutan-2-yl)carbamate (PubChem CID 62094213) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is propan-2-yl N-(4-aminobutan-2-yl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(4-aminobutan-2-yl)carbamate
PubChem CID62094213
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Namepropan-2-yl N-(4-aminobutan-2-yl)carbamate
SMILESCC(CCN)NC(=O)OC(C)C
InChIInChI=1S/C8H18N2O2/c1-6(2)12-8(11)10-7(3)4-5-9/h6-7H,4-5,9H2,1-3H3,(H,10,11)
InChIKeyWZBPAGCBCVOOEU-UHFFFAOYSA-N
XLogP0.86
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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methyl (2S)-3-amino-2-(propan-2-yloxycarbonylamino)propanoate
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N-(4-aminobutan-2-yl)-2-methylpropanamide
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ethyl N-propan-2-ylcarbamate;propan-2-yl N-propan-2-ylcarbamate
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propan-2-yl N-[1-(4-aminophenyl)propan-2-yl]carbamate
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N-(4-aminobutan-2-yl)-4-methylpentanamide
CID 62092208
N-(4-aminobutan-2-yl)acetamide;ethane;molecular hydrogen
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3-(4-aminobutan-2-yl)-1,1-dimethylurea
CID 79154286
methyl 4-methyl-2-(propan-2-yloxycarbonylamino)pentanoate
CID 14463277
N-(4-aminobutan-2-yl)-3,4,4-trimethylpentanamide
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CID 106141226

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(4-aminobutan-2-yl)carbamate?
The IUPAC name of propan-2-yl N-(4-aminobutan-2-yl)carbamate (CID 62094213) is propan-2-yl N-(4-aminobutan-2-yl)carbamate.
What is the SMILES notation for propan-2-yl N-(4-aminobutan-2-yl)carbamate?
The canonical SMILES for propan-2-yl N-(4-aminobutan-2-yl)carbamate is CC(CCN)NC(=O)OC(C)C.
What is the InChIKey of propan-2-yl N-(4-aminobutan-2-yl)carbamate?
The InChIKey is WZBPAGCBCVOOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-6(2)12-8(11)10-7(3)4-5-9/h6-7H,4-5,9H2,1-3H3,(H,10,11).
What are the key properties of propan-2-yl N-(4-aminobutan-2-yl)carbamate?
propan-2-yl N-(4-aminobutan-2-yl)carbamate has a molecular weight of 174.24 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(4-aminobutan-2-yl)carbamate is sourced from PubChem (CID 62094213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).