5-(tert-butylamino)pentyl carbamate;hydrochloride

C10H23ClN2O2 — CID 117067988

IUPAC5-(tert-butylamino)pentyl carbamate;hydrochloride
SMILESCC(C)(C)NCCCCCOC(N)=O.Cl
InChIInChI=1S/C10H22N2O2.ClH/c1-10(2,3)12-7-5-4-6-8-14-9(11)13;/h12H,4-8H2,1-3H3,(H2,11,13);1H
InChIKeyRNAPEDKZLQHACN-UHFFFAOYSA-N
MW238.76 g/mol
LogP2.06
Rot. Bonds6

About 5-(tert-butylamino)pentyl carbamate;hydrochloride

5-(tert-butylamino)pentyl carbamate;hydrochloride (PubChem CID 117067988) has the molecular formula C10H23ClN2O2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 5-(tert-butylamino)pentyl carbamate;hydrochloride.

Molecular Properties

Compound Name5-(tert-butylamino)pentyl carbamate;hydrochloride
PubChem CID117067988
Molecular FormulaC10H23ClN2O2
Molecular Weight238.76 g/mol
Exact Mass238.14
IUPAC Name5-(tert-butylamino)pentyl carbamate;hydrochloride
SMILESCC(C)(C)NCCCCCOC(N)=O.Cl
InChIInChI=1S/C10H22N2O2.ClH/c1-10(2,3)12-7-5-4-6-8-14-9(11)13;/h12H,4-8H2,1-3H3,(H2,11,13);1H
InChIKeyRNAPEDKZLQHACN-UHFFFAOYSA-N
XLogP2.06
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(tert-butylamino)pentyl carbamate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(methylamino)hexyl carbamate
CID 87971440
9-carbamoyloxynonyl carbamate
CID 87883969
5-(propylamino)pentyl carbamate
CID 175255674
2,2-dimethylpropyl 6-(tert-butylamino)hexanoate
CID 90364505
2-[3-(tert-butylamino)propanoylamino]ethyl carbamate
CID 83209424
hexyl 3-(tert-butylamino)propanoate
CID 61301914
octacosyl carbamate
CID 160925840
4-(3-aminopropylamino)butyl carbamate
CID 175431367
14-(tert-butylamino)-2,2-dimethyltetradecan-3-one
CID 58895700
8-(tert-butylamino)-2,2-dimethyloctan-3-one
CID 58895617
methyl 18-carbamoyloxyoctadecanoate
CID 126739375
9-aminononyl carbamate
CID 87884060

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylamino)pentyl carbamate;hydrochloride?
The IUPAC name of 5-(tert-butylamino)pentyl carbamate;hydrochloride (CID 117067988) is 5-(tert-butylamino)pentyl carbamate;hydrochloride.
What is the SMILES notation for 5-(tert-butylamino)pentyl carbamate;hydrochloride?
The canonical SMILES for 5-(tert-butylamino)pentyl carbamate;hydrochloride is CC(C)(C)NCCCCCOC(N)=O.Cl.
What is the InChIKey of 5-(tert-butylamino)pentyl carbamate;hydrochloride?
The InChIKey is RNAPEDKZLQHACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2.ClH/c1-10(2,3)12-7-5-4-6-8-14-9(11)13;/h12H,4-8H2,1-3H3,(H2,11,13);1H.
What are the key properties of 5-(tert-butylamino)pentyl carbamate;hydrochloride?
5-(tert-butylamino)pentyl carbamate;hydrochloride has a molecular weight of 238.76 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylamino)pentyl carbamate;hydrochloride is sourced from PubChem (CID 117067988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).