dipropylcarbamic acid;N-propylpropan-1-amine

C13H30N2O2 — CID 14741618

IUPACdipropylcarbamic acid;N-propylpropan-1-amine
SMILESCCCN(CCC)C(=O)O.CCCNCCC
InChIInChI=1S/C7H15NO2.C6H15N/c1-3-5-8(6-4-2)7(9)10;1-3-5-7-6-4-2/h3-6H2,1-2H3,(H,9,10);7H,3-6H2,1-2H3
InChIKeyBCBPBFFCZQHEMA-UHFFFAOYSA-N
MW246.39 g/mol
LogP3.18
Rot. Bonds8

About dipropylcarbamic acid;N-propylpropan-1-amine

dipropylcarbamic acid;N-propylpropan-1-amine (PubChem CID 14741618) has the molecular formula C13H30N2O2 and a molecular weight of 246.39 g/mol. Its IUPAC name is dipropylcarbamic acid;N-propylpropan-1-amine.

Molecular Properties

Compound Namedipropylcarbamic acid;N-propylpropan-1-amine
PubChem CID14741618
Molecular FormulaC13H30N2O2
Molecular Weight246.39 g/mol
Exact Mass246.23
IUPAC Namedipropylcarbamic acid;N-propylpropan-1-amine
SMILESCCCN(CCC)C(=O)O.CCCNCCC
InChIInChI=1S/C7H15NO2.C6H15N/c1-3-5-8(6-4-2)7(9)10;1-3-5-7-6-4-2/h3-6H2,1-2H3,(H,9,10);7H,3-6H2,1-2H3
InChIKeyBCBPBFFCZQHEMA-UHFFFAOYSA-N
XLogP3.18
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 dipropylcarbamic acid;N-propylpropan-1-amine?
The IUPAC name of dipropylcarbamic acid;N-propylpropan-1-amine (CID 14741618) is dipropylcarbamic acid;N-propylpropan-1-amine.
What is the SMILES notation for dipropylcarbamic acid;N-propylpropan-1-amine?
The canonical SMILES for dipropylcarbamic acid;N-propylpropan-1-amine is CCCN(CCC)C(=O)O.CCCNCCC.
What is the InChIKey of dipropylcarbamic acid;N-propylpropan-1-amine?
The InChIKey is BCBPBFFCZQHEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.C6H15N/c1-3-5-8(6-4-2)7(9)10;1-3-5-7-6-4-2/h3-6H2,1-2H3,(H,9,10);7H,3-6H2,1-2H3.
What are the key properties of dipropylcarbamic acid;N-propylpropan-1-amine?
dipropylcarbamic acid;N-propylpropan-1-amine has a molecular weight of 246.39 g/mol, XLogP of 3.18, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dipropylcarbamic acid;N-propylpropan-1-amine is sourced from PubChem (CID 14741618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).