(N,N-dipropylcarbamimidoyl)urea

C8H18N4O — CID 141477803

IUPAC(N,N-dipropylcarbamimidoyl)urea
SMILES[H]/N=C(\NC(N)=O)N(CCC)CCC
InChIInChI=1S/C8H18N4O/c1-3-5-12(6-4-2)7(9)11-8(10)13/h3-6H2,1-2H3,(H4,9,10,11,13)
InChIKeyUULZOXAYWSURQW-UHFFFAOYSA-N
MW186.26 g/mol
LogP0.71
Rot. Bonds4

About (N,N-dipropylcarbamimidoyl)urea

(N,N-dipropylcarbamimidoyl)urea (PubChem CID 141477803) has the molecular formula C8H18N4O and a molecular weight of 186.26 g/mol. Its IUPAC name is (N,N-dipropylcarbamimidoyl)urea.

Molecular Properties

Compound Name(N,N-dipropylcarbamimidoyl)urea
PubChem CID141477803
Molecular FormulaC8H18N4O
Molecular Weight186.26 g/mol
Exact Mass186.15
IUPAC Name(N,N-dipropylcarbamimidoyl)urea
SMILES[H]/N=C(\NC(N)=O)N(CCC)CCC
InChIInChI=1S/C8H18N4O/c1-3-5-12(6-4-2)7(9)11-8(10)13/h3-6H2,1-2H3,(H4,9,10,11,13)
InChIKeyUULZOXAYWSURQW-UHFFFAOYSA-N
XLogP0.71
TPSA82.21 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-(N,N-diethylcarbamimidoyl)-1,1-diethylguanidine
CID 176521202
2-carbamimidoyl-1-ethyl-1-propylguanidine;hydrochloride
CID 176546682
sodium;carbamothioic S-acid;dipropylcarbamothioic S-acid;hydride
CID 173333839
3-amino-1-ethyl-1-propylurea
CID 43269070
acetic acid;1,1-dioctylguanidine
CID 71338115
2-[3-aminopropyl(propyl)amino]-N-carbamoylacetamide
CID 43137300
3-amino-N,N-dipropylbutanamide
CID 60836307
3-iodo-1,1-dipropylurea
CID 87969845
methyl 2-(dipropylcarbamoylamino)propanoate
CID 3752223
3-[ethyl(propyl)amino]butanimidamide
CID 60913163
1-dodecyl-1-pentylguanidine
CID 88762865
(2S)-2-amino-N-ethyl-N-propylbutanamide
CID 79025011

Frequently Asked Questions

What is the IUPAC name of (N,N-dipropylcarbamimidoyl)urea?
The IUPAC name of (N,N-dipropylcarbamimidoyl)urea (CID 141477803) is (N,N-dipropylcarbamimidoyl)urea.
What is the SMILES notation for (N,N-dipropylcarbamimidoyl)urea?
The canonical SMILES for (N,N-dipropylcarbamimidoyl)urea is [H]/N=C(\NC(N)=O)N(CCC)CCC.
What is the InChIKey of (N,N-dipropylcarbamimidoyl)urea?
The InChIKey is UULZOXAYWSURQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O/c1-3-5-12(6-4-2)7(9)11-8(10)13/h3-6H2,1-2H3,(H4,9,10,11,13).
What are the key properties of (N,N-dipropylcarbamimidoyl)urea?
(N,N-dipropylcarbamimidoyl)urea has a molecular weight of 186.26 g/mol, XLogP of 0.71, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (N,N-dipropylcarbamimidoyl)urea is sourced from PubChem (CID 141477803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).