ethyl carbamate;hexane-1,6-diamine

C9H23N3O2 — CID 161407066

IUPACethyl carbamate;hexane-1,6-diamine
SMILESCCOC(N)=O.NCCCCCCN
InChIInChI=1S/C6H16N2.C3H7NO2/c7-5-3-1-2-4-6-8;1-2-6-3(4)5/h1-8H2;2H2,1H3,(H2,4,5)
InChIKeyVUZCPEOJUUSVJE-UHFFFAOYSA-N
MW205.30 g/mol
LogP0.57
Rot. Bonds6

About ethyl carbamate;hexane-1,6-diamine

ethyl carbamate;hexane-1,6-diamine (PubChem CID 161407066) has the molecular formula C9H23N3O2 and a molecular weight of 205.30 g/mol. Its IUPAC name is ethyl carbamate;hexane-1,6-diamine.

Molecular Properties

Compound Nameethyl carbamate;hexane-1,6-diamine
PubChem CID161407066
Molecular FormulaC9H23N3O2
Molecular Weight205.30 g/mol
Exact Mass205.18
IUPAC Nameethyl carbamate;hexane-1,6-diamine
SMILESCCOC(N)=O.NCCCCCCN
InChIInChI=1S/C6H16N2.C3H7NO2/c7-5-3-1-2-4-6-8;1-2-6-3(4)5/h1-8H2;2H2,1H3,(H2,4,5)
InChIKeyVUZCPEOJUUSVJE-UHFFFAOYSA-N
XLogP0.57
TPSA104.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl carbamate;hexane-1,6-diamine?
The IUPAC name of ethyl carbamate;hexane-1,6-diamine (CID 161407066) is ethyl carbamate;hexane-1,6-diamine.
What is the SMILES notation for ethyl carbamate;hexane-1,6-diamine?
The canonical SMILES for ethyl carbamate;hexane-1,6-diamine is CCOC(N)=O.NCCCCCCN.
What is the InChIKey of ethyl carbamate;hexane-1,6-diamine?
The InChIKey is VUZCPEOJUUSVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2.C3H7NO2/c7-5-3-1-2-4-6-8;1-2-6-3(4)5/h1-8H2;2H2,1H3,(H2,4,5).
What are the key properties of ethyl carbamate;hexane-1,6-diamine?
ethyl carbamate;hexane-1,6-diamine has a molecular weight of 205.30 g/mol, XLogP of 0.57, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl carbamate;hexane-1,6-diamine is sourced from PubChem (CID 161407066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).