(E)-[amino-[amino(2-methylpropyl)amino]methylidene]urea;ethane

C8H21N5O — CID 144894431

IUPAC(E)-[amino-[amino(2-methylpropyl)amino]methylidene]urea;ethane
SMILESCC.CC(C)CN(N)/C(N)=N/C(N)=O
InChIInChI=1S/C6H15N5O.C2H6/c1-4(2)3-11(9)5(7)10-6(8)12;1-2/h4H,3,9H2,1-2H3,(H4,7,8,10,12);1-2H3
InChIKeyIZWNMRHLFAZMDV-UHFFFAOYSA-N
MW203.29 g/mol
LogP0.24
Rot. Bonds2

About (E)-[amino-[amino(2-methylpropyl)amino]methylidene]urea;ethane

(E)-[amino-[amino(2-methylpropyl)amino]methylidene]urea;ethane (PubChem CID 144894431) has the molecular formula C8H21N5O and a molecular weight of 203.29 g/mol. Its IUPAC name is (E)-[amino-[amino(2-methylpropyl)amino]methylidene]urea;ethane.

Molecular Properties

Compound Name(E)-[amino-[amino(2-methylpropyl)amino]methylidene]urea;ethane
PubChem CID144894431
Molecular FormulaC8H21N5O
Molecular Weight203.29 g/mol
Exact Mass203.17
IUPAC Name(E)-[amino-[amino(2-methylpropyl)amino]methylidene]urea;ethane
SMILESCC.CC(C)CN(N)/C(N)=N/C(N)=O
InChIInChI=1S/C6H15N5O.C2H6/c1-4(2)3-11(9)5(7)10-6(8)12;1-2/h4H,3,9H2,1-2H3,(H4,7,8,10,12);1-2H3
InChIKeyIZWNMRHLFAZMDV-UHFFFAOYSA-N
XLogP0.24
TPSA110.73 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 50.24
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

1-N-methoxy-2-propan-2-yl-2H-1,3,5-triazine-1,4,6-triamine
CID 69879805
1-butyl-1-[[N'-(2-methylpropyl)carbamimidoyl]amino]guanidine
CID 88621459
1-Amino-3-(diaminomethylidene)-1-(2-methylpropyl)guanidine;ethane
CID 144561806
(E)-[amino-[amino(propyl)amino]methylidene]urea
CID 144894395
(E)-[amino-[amino(2-methylpropyl)amino]methylidene]urea
CID 144894432

Frequently Asked Questions

What is the IUPAC name of (E)-[amino-[amino(2-methylpropyl)amino]methylidene]urea;ethane?
The IUPAC name of (E)-[amino-[amino(2-methylpropyl)amino]methylidene]urea;ethane (CID 144894431) is (E)-[amino-[amino(2-methylpropyl)amino]methylidene]urea;ethane.
What is the SMILES notation for (E)-[amino-[amino(2-methylpropyl)amino]methylidene]urea;ethane?
The canonical SMILES for (E)-[amino-[amino(2-methylpropyl)amino]methylidene]urea;ethane is CC.CC(C)CN(N)/C(N)=N/C(N)=O.
What is the InChIKey of (E)-[amino-[amino(2-methylpropyl)amino]methylidene]urea;ethane?
The InChIKey is IZWNMRHLFAZMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N5O.C2H6/c1-4(2)3-11(9)5(7)10-6(8)12;1-2/h4H,3,9H2,1-2H3,(H4,7,8,10,12);1-2H3.
What are the key properties of (E)-[amino-[amino(2-methylpropyl)amino]methylidene]urea;ethane?
(E)-[amino-[amino(2-methylpropyl)amino]methylidene]urea;ethane has a molecular weight of 203.29 g/mol, XLogP of 0.24, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-[amino-[amino(2-methylpropyl)amino]methylidene]urea;ethane is sourced from PubChem (CID 144894431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).