5-(propylamino)pentyl carbamate

C9H20N2O2 — CID 175255674

IUPAC5-(propylamino)pentyl carbamate
SMILESCCCNCCCCCOC(N)=O
InChIInChI=1S/C9H20N2O2/c1-2-6-11-7-4-3-5-8-13-9(10)12/h11H,2-8H2,1H3,(H2,10,12)
InChIKeyQNVJZHASUJMKNQ-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.25
Rot. Bonds8

About 5-(propylamino)pentyl carbamate

5-(propylamino)pentyl carbamate (PubChem CID 175255674) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 5-(propylamino)pentyl carbamate.

Molecular Properties

Compound Name5-(propylamino)pentyl carbamate
PubChem CID175255674
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name5-(propylamino)pentyl carbamate
SMILESCCCNCCCCCOC(N)=O
InChIInChI=1S/C9H20N2O2/c1-2-6-11-7-4-3-5-8-13-9(10)12/h11H,2-8H2,1H3,(H2,10,12)
InChIKeyQNVJZHASUJMKNQ-UHFFFAOYSA-N
XLogP1.25
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.25
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

4-(3-aminopropylamino)butyl carbamate
CID 175431367
octacosyl carbamate
CID 160925840
6-(methylamino)hexyl carbamate
CID 87971440
9-carbamoyloxynonyl carbamate
CID 87883969
ethane;pentyl carbamate
CID 142339635
dodecyl tridecanoate;N-octyloctan-1-amine
CID 88604290
nonyl 4-(nonylamino)butanoate
CID 142432007
3-(propylamino)propyl N-propylcarbamate
CID 166733433
4-(propylamino)butanamide
CID 21468794
butyl carbamate;hydrochloride
CID 88609650
butyl carbamate;phosphane
CID 174948771
butyl carbamate;hydroiodide
CID 161347358

Frequently Asked Questions

What is the IUPAC name of 5-(propylamino)pentyl carbamate?
The IUPAC name of 5-(propylamino)pentyl carbamate (CID 175255674) is 5-(propylamino)pentyl carbamate.
What is the SMILES notation for 5-(propylamino)pentyl carbamate?
The canonical SMILES for 5-(propylamino)pentyl carbamate is CCCNCCCCCOC(N)=O.
What is the InChIKey of 5-(propylamino)pentyl carbamate?
The InChIKey is QNVJZHASUJMKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-2-6-11-7-4-3-5-8-13-9(10)12/h11H,2-8H2,1H3,(H2,10,12).
What are the key properties of 5-(propylamino)pentyl carbamate?
5-(propylamino)pentyl carbamate has a molecular weight of 188.27 g/mol, XLogP of 1.25, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(propylamino)pentyl carbamate is sourced from PubChem (CID 175255674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).