(E)-[amino-[amino(propyl)amino]methylidene]urea

C5H13N5O — CID 144894395

IUPAC(E)-[amino-[amino(propyl)amino]methylidene]urea
SMILESCCCN(N)/C(N)=N/C(N)=O
InChIInChI=1S/C5H13N5O/c1-2-3-10(8)4(6)9-5(7)11/h2-3,8H2,1H3,(H4,6,7,9,11)
InChIKeyRGHMGSXBNDVULK-UHFFFAOYSA-N
MW159.19 g/mol
LogP-1.03
Rot. Bonds2

About (E)-[amino-[amino(propyl)amino]methylidene]urea

(E)-[amino-[amino(propyl)amino]methylidene]urea (PubChem CID 144894395) has the molecular formula C5H13N5O and a molecular weight of 159.19 g/mol. Its IUPAC name is (E)-[amino-[amino(propyl)amino]methylidene]urea.

Molecular Properties

Compound Name(E)-[amino-[amino(propyl)amino]methylidene]urea
PubChem CID144894395
Molecular FormulaC5H13N5O
Molecular Weight159.19 g/mol
Exact Mass159.11
IUPAC Name(E)-[amino-[amino(propyl)amino]methylidene]urea
SMILESCCCN(N)/C(N)=N/C(N)=O
InChIInChI=1S/C5H13N5O/c1-2-3-10(8)4(6)9-5(7)11/h2-3,8H2,1H3,(H4,6,7,9,11)
InChIKeyRGHMGSXBNDVULK-UHFFFAOYSA-N
XLogP-1.03
TPSA110.73 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-1.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-propyl-2H-1,3,5-triazine-1,4,6-triamine
CID 21081841
1-Amino-3-(diaminomethylidene)-1-propylguanidine
CID 89815659
(E)-[amino-[amino(2-methylpropyl)amino]methylidene]urea;ethane
CID 144894431
1-Amino-1-ethyl-2-methylguanidine
CID 151166246
1-Amino-2-carbamimidoyl-1-propylguanidine
CID 176519542
(E)-[amino-[amino(2-methylpropyl)amino]methylidene]urea
CID 144894432
1-Amino-1,2-diethylguanidine
CID 174270075

Frequently Asked Questions

What is the IUPAC name of (E)-[amino-[amino(propyl)amino]methylidene]urea?
The IUPAC name of (E)-[amino-[amino(propyl)amino]methylidene]urea (CID 144894395) is (E)-[amino-[amino(propyl)amino]methylidene]urea.
What is the SMILES notation for (E)-[amino-[amino(propyl)amino]methylidene]urea?
The canonical SMILES for (E)-[amino-[amino(propyl)amino]methylidene]urea is CCCN(N)/C(N)=N/C(N)=O.
What is the InChIKey of (E)-[amino-[amino(propyl)amino]methylidene]urea?
The InChIKey is RGHMGSXBNDVULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N5O/c1-2-3-10(8)4(6)9-5(7)11/h2-3,8H2,1H3,(H4,6,7,9,11).
What are the key properties of (E)-[amino-[amino(propyl)amino]methylidene]urea?
(E)-[amino-[amino(propyl)amino]methylidene]urea has a molecular weight of 159.19 g/mol, XLogP of -1.03, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-[amino-[amino(propyl)amino]methylidene]urea is sourced from PubChem (CID 144894395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).