1-(1-aminopropan-2-yl)-2,3-dicyclohexylguanidine

C16H32N4 — CID 122691193

IUPAC1-(1-aminopropan-2-yl)-2,3-dicyclohexylguanidine
SMILESCC(CN)N/C(=N\C1CCCCC1)NC1CCCCC1
InChIInChI=1S/C16H32N4/c1-13(12-17)18-16(19-14-8-4-2-5-9-14)20-15-10-6-3-7-11-15/h13-15H,2-12,17H2,1H3,(H2,18,19,20)
InChIKeyYWJDVQIRXUUCOA-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.53
Rot. Bonds4

About 1-(1-aminopropan-2-yl)-2,3-dicyclohexylguanidine

1-(1-aminopropan-2-yl)-2,3-dicyclohexylguanidine (PubChem CID 122691193) has the molecular formula C16H32N4 and a molecular weight of 280.46 g/mol. Its IUPAC name is 1-(1-aminopropan-2-yl)-2,3-dicyclohexylguanidine.

Molecular Properties

Compound Name1-(1-aminopropan-2-yl)-2,3-dicyclohexylguanidine
PubChem CID122691193
Molecular FormulaC16H32N4
Molecular Weight280.46 g/mol
Exact Mass280.26
IUPAC Name1-(1-aminopropan-2-yl)-2,3-dicyclohexylguanidine
SMILESCC(CN)N/C(=N\C1CCCCC1)NC1CCCCC1
InChIInChI=1S/C16H32N4/c1-13(12-17)18-16(19-14-8-4-2-5-9-14)20-15-10-6-3-7-11-15/h13-15H,2-12,17H2,1H3,(H2,18,19,20)
InChIKeyYWJDVQIRXUUCOA-UHFFFAOYSA-N
XLogP2.53
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-amino-3-cyclobutyl-2-cyclohexylguanidine
CID 104882648
1,3-dicyclohexyl-2-[5-[(N,N'-dicyclohexylcarbamimidoyl)amino]-2-methylpentyl]guanidine
CID 176525069
propan-2-yl N,N'-dicyclohexylcarbamimidate
CID 10945389
1-[(N,N'-dicyclohexylcarbamimidoyl)amino]ethylidene-dimethylazanium
CID 159536560
1-amino-2-cyclopentyl-3-(1-methylsulfonylpropan-2-yl)guanidine
CID 104886695
2-cyclohexyl-1-(5-methylhexan-2-yl)guanidine
CID 63925710
1-amino-2-cyclohexyl-3-(1-phenylpropan-2-yl)guanidine
CID 116515036
1,3-dicyclohexyl-2-(2-hydroxypropyl)guanidine
CID 118456420
2,3-dicyclohexyl-1-methyl-1-(2-methylpropyl)guanidine
CID 89442983
1-amino-2-cyclohexyl-3-(3,3,5,5-tetramethylcyclohexyl)guanidine
CID 104888437
1-(4-cyclohexylbutan-2-yl)-3-cyclopropyl-2-methylguanidine
CID 109482315
N-[(2S)-1-aminopropan-2-yl]-4-(cyclohexylcarbamoylamino)butanamide;hydrochloride
CID 120505486

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminopropan-2-yl)-2,3-dicyclohexylguanidine?
The IUPAC name of 1-(1-aminopropan-2-yl)-2,3-dicyclohexylguanidine (CID 122691193) is 1-(1-aminopropan-2-yl)-2,3-dicyclohexylguanidine.
What is the SMILES notation for 1-(1-aminopropan-2-yl)-2,3-dicyclohexylguanidine?
The canonical SMILES for 1-(1-aminopropan-2-yl)-2,3-dicyclohexylguanidine is CC(CN)N/C(=N\C1CCCCC1)NC1CCCCC1.
What is the InChIKey of 1-(1-aminopropan-2-yl)-2,3-dicyclohexylguanidine?
The InChIKey is YWJDVQIRXUUCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4/c1-13(12-17)18-16(19-14-8-4-2-5-9-14)20-15-10-6-3-7-11-15/h13-15H,2-12,17H2,1H3,(H2,18,19,20).
What are the key properties of 1-(1-aminopropan-2-yl)-2,3-dicyclohexylguanidine?
1-(1-aminopropan-2-yl)-2,3-dicyclohexylguanidine has a molecular weight of 280.46 g/mol, XLogP of 2.53, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminopropan-2-yl)-2,3-dicyclohexylguanidine is sourced from PubChem (CID 122691193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).