1,1,2-tripropylguanidine

C10H23N3 — CID 19361178

IUPAC1,1,2-tripropylguanidine
SMILESCCC/N=C(\N)N(CCC)CCC
InChIInChI=1S/C10H23N3/c1-4-7-12-10(11)13(8-5-2)9-6-3/h4-9H2,1-3H3,(H2,11,12)
InChIKeyAXAUYAGMJCYOMM-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.83
Rot. Bonds6

About 1,1,2-tripropylguanidine

1,1,2-tripropylguanidine (PubChem CID 19361178) has the molecular formula C10H23N3 and a molecular weight of 185.31 g/mol. Its IUPAC name is 1,1,2-tripropylguanidine.

Molecular Properties

Compound Name1,1,2-tripropylguanidine
PubChem CID19361178
Molecular FormulaC10H23N3
Molecular Weight185.31 g/mol
Exact Mass185.19
IUPAC Name1,1,2-tripropylguanidine
SMILESCCC/N=C(\N)N(CCC)CCC
InChIInChI=1S/C10H23N3/c1-4-7-12-10(11)13(8-5-2)9-6-3/h4-9H2,1-3H3,(H2,11,12)
InChIKeyAXAUYAGMJCYOMM-UHFFFAOYSA-N
XLogP1.83
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.83
H-Bond Donors ≤ 51
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

Guanidine, N,N,N',N',N''-pentaethyl-
CID 238097
Guanidine, 3-cyano-1,1-dibutyl-
CID 3024534
1,1-Dipentylbiguanide
CID 176528677
6,6-Dimethyl-1-propyl-1,3,5-triazine-2,4-diamine
CID 427467
Dibutylguanidine
CID 9496
Biguanide, 1,1-dipentyl-
CID 58403
N,N-dibutylimidodicarbonimidic diamide
CID 58400
1-Cyano-3,3-bis(propan-2-yl)guanidine
CID 11252236
1,3-(Diethylaminopropyl)-carbodiimide
CID 18706097
Tetraethylguanidinium chloride
CID 19693196
N-butyl-N',N',N'',N''-tetramethylguanidine
CID 20446383
1,1,2-Tri(propan-2-yl)guanidine
CID 22391788

Frequently Asked Questions

What is the IUPAC name of 1,1,2-tripropylguanidine?
The IUPAC name of 1,1,2-tripropylguanidine (CID 19361178) is 1,1,2-tripropylguanidine.
What is the SMILES notation for 1,1,2-tripropylguanidine?
The canonical SMILES for 1,1,2-tripropylguanidine is CCC/N=C(\N)N(CCC)CCC.
What is the InChIKey of 1,1,2-tripropylguanidine?
The InChIKey is AXAUYAGMJCYOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3/c1-4-7-12-10(11)13(8-5-2)9-6-3/h4-9H2,1-3H3,(H2,11,12).
What are the key properties of 1,1,2-tripropylguanidine?
1,1,2-tripropylguanidine has a molecular weight of 185.31 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-tripropylguanidine is sourced from PubChem (CID 19361178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).