CID 59630132

C4H9N3 — CID 59630132

IUPAC—
SMILES[H]/N=C(\N)N(C)C[CH]
InChIInChI=1S/C4H9N3/c1-3-7(2)4(5)6/h1H,3H2,2H3,(H3,5,6)
InChIKeyUVDPHXRCVYPFCT-UHFFFAOYSA-N
MW99.14 g/mol
LogP-0.48
Rot. Bonds1

About CID 59630132

CID 59630132 (PubChem CID 59630132) has the molecular formula C4H9N3 and a molecular weight of 99.14 g/mol.

Molecular Properties

Compound NameCID 59630132
PubChem CID59630132
Molecular FormulaC4H9N3
Molecular Weight99.14 g/mol
Exact Mass99.08
IUPAC Name—
SMILES[H]/N=C(\N)N(C)C[CH]
InChIInChI=1S/C4H9N3/c1-3-7(2)4(5)6/h1H,3H2,2H3,(H3,5,6)
InChIKeyUVDPHXRCVYPFCT-UHFFFAOYSA-N
XLogP-0.48
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.14
LogP ≤ 5-0.48
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 59630132?
The IUPAC name of CID 59630132 (CID 59630132) is not available.
What is the SMILES notation for CID 59630132?
The canonical SMILES for CID 59630132 is [H]/N=C(\N)N(C)C[CH].
What is the InChIKey of CID 59630132?
The InChIKey is UVDPHXRCVYPFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3/c1-3-7(2)4(5)6/h1H,3H2,2H3,(H3,5,6).
What are the key properties of CID 59630132?
CID 59630132 has a molecular weight of 99.14 g/mol, XLogP of -0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59630132 is sourced from PubChem (CID 59630132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).