CID 59630136

C4H10N3 — CID 59630136

IUPAC—
SMILES[H]/N=C(\N)N(C)[CH]C
InChIInChI=1S/C4H10N3/c1-3-7(2)4(5)6/h3H,1-2H3,(H3,5,6)
InChIKeyJEDKIKYPHMFUKF-UHFFFAOYSA-N
MW100.14 g/mol
LogP-0.01
Rot. Bonds1

About CID 59630136

CID 59630136 (PubChem CID 59630136) has the molecular formula C4H10N3 and a molecular weight of 100.14 g/mol.

Molecular Properties

Compound NameCID 59630136
PubChem CID59630136
Molecular FormulaC4H10N3
Molecular Weight100.14 g/mol
Exact Mass100.09
IUPAC Name—
SMILES[H]/N=C(\N)N(C)[CH]C
InChIInChI=1S/C4H10N3/c1-3-7(2)4(5)6/h3H,1-2H3,(H3,5,6)
InChIKeyJEDKIKYPHMFUKF-UHFFFAOYSA-N
XLogP-0.01
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.14
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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

1,1-Diethylguanidine
CID 14467
N-Ethyl-N-methylguanidine
CID 19456
N,N,N',N'-Tetraethylguanidine
CID 234841
1,1-Diethylguanidine hydrochloride
CID 70686
1-[2-[Carbamimidoyl(methyl)amino]ethyl]-1-methyl-guanidine
CID 469978
1,3,5-Triazine, 2,4-diamino-5-ethyl-5,6-dihydro-6-imino-
CID 129933113
n-Butyl-guanylguanidin
CID 15595708
Methyl-propylguanidine
CID 18614735
Trimethyl propylguanidine
CID 54447877
Selenoethyl-guanidine
CID 129674770
n,n-Dipropyl-guanidine
CID 9494
N,N-Diethylimidoformamide
CID 17912027

Frequently Asked Questions

What is the IUPAC name of CID 59630136?
The IUPAC name of CID 59630136 (CID 59630136) is not available.
What is the SMILES notation for CID 59630136?
The canonical SMILES for CID 59630136 is [H]/N=C(\N)N(C)[CH]C.
What is the InChIKey of CID 59630136?
The InChIKey is JEDKIKYPHMFUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N3/c1-3-7(2)4(5)6/h3H,1-2H3,(H3,5,6).
What are the key properties of CID 59630136?
CID 59630136 has a molecular weight of 100.14 g/mol, XLogP of -0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59630136 is sourced from PubChem (CID 59630136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).