3-amino-2-cyclohexyl-1-(cyclopropylmethyl)-1-propan-2-ylguanidine

C14H28N4 — CID 104885486

IUPAC3-amino-2-cyclohexyl-1-(cyclopropylmethyl)-1-propan-2-ylguanidine
SMILESCC(C)N(CC1CC1)/C(=N/C1CCCCC1)NN
InChIInChI=1S/C14H28N4/c1-11(2)18(10-12-8-9-12)14(17-15)16-13-6-4-3-5-7-13/h11-13H,3-10,15H2,1-2H3,(H,16,17)
InChIKeyCBZWYCIGOOHEFY-UHFFFAOYSA-N
MW252.41 g/mol
LogP2.26
Rot. Bonds4

About 3-amino-2-cyclohexyl-1-(cyclopropylmethyl)-1-propan-2-ylguanidine

3-amino-2-cyclohexyl-1-(cyclopropylmethyl)-1-propan-2-ylguanidine (PubChem CID 104885486) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is 3-amino-2-cyclohexyl-1-(cyclopropylmethyl)-1-propan-2-ylguanidine.

Molecular Properties

Compound Name3-amino-2-cyclohexyl-1-(cyclopropylmethyl)-1-propan-2-ylguanidine
PubChem CID104885486
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC Name3-amino-2-cyclohexyl-1-(cyclopropylmethyl)-1-propan-2-ylguanidine
SMILESCC(C)N(CC1CC1)/C(=N/C1CCCCC1)NN
InChIInChI=1S/C14H28N4/c1-11(2)18(10-12-8-9-12)14(17-15)16-13-6-4-3-5-7-13/h11-13H,3-10,15H2,1-2H3,(H,16,17)
InChIKeyCBZWYCIGOOHEFY-UHFFFAOYSA-N
XLogP2.26
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 52.26
H-Bond Donors ≤ 52
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

3-amino-2-cyclopentyl-1-propan-2-yl-1-propylguanidine
CID 104883616
3-amino-2-cyclohexyl-1-(cyclopropylmethyl)-1-methylguanidine
CID 104884329
3-amino-2-cyclohexyl-1,1-dimethylguanidine
CID 104883392
3-amino-1-(cyclopentylmethyl)-2-cyclopropyl-1-methylguanidine
CID 104886066
2-cyclopropyl-1-(cyclopropylmethyl)-1-propan-2-ylguanidine
CID 62363679
3-amino-1-(cyclopropylmethyl)-2-(3-ethoxypropyl)-1-propan-2-ylguanidine
CID 104885483
3-amino-2-cyclopentyl-1-methyl-1-(2-methylbutyl)guanidine
CID 104883686
3-amino-2-cyclopentyl-1-(3,3-dimethylbutan-2-yl)-1-methylguanidine
CID 104884499
3-amino-2-cyclopentyl-1-cyclopropyl-1-methylguanidine
CID 104883533
3-amino-2-cyclohexyl-1-(2-methoxyethyl)-1-methylguanidine
CID 104885414
3-amino-2-cyclopentyl-1-(2,2-dimethylpropyl)-1-methylguanidine
CID 104885238
3-amino-2-cyclopentyl-1-methyl-1-(oxan-3-ylmethyl)guanidine
CID 104886264

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-cyclohexyl-1-(cyclopropylmethyl)-1-propan-2-ylguanidine?
The IUPAC name of 3-amino-2-cyclohexyl-1-(cyclopropylmethyl)-1-propan-2-ylguanidine (CID 104885486) is 3-amino-2-cyclohexyl-1-(cyclopropylmethyl)-1-propan-2-ylguanidine.
What is the SMILES notation for 3-amino-2-cyclohexyl-1-(cyclopropylmethyl)-1-propan-2-ylguanidine?
The canonical SMILES for 3-amino-2-cyclohexyl-1-(cyclopropylmethyl)-1-propan-2-ylguanidine is CC(C)N(CC1CC1)/C(=N/C1CCCCC1)NN.
What is the InChIKey of 3-amino-2-cyclohexyl-1-(cyclopropylmethyl)-1-propan-2-ylguanidine?
The InChIKey is CBZWYCIGOOHEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-11(2)18(10-12-8-9-12)14(17-15)16-13-6-4-3-5-7-13/h11-13H,3-10,15H2,1-2H3,(H,16,17).
What are the key properties of 3-amino-2-cyclohexyl-1-(cyclopropylmethyl)-1-propan-2-ylguanidine?
3-amino-2-cyclohexyl-1-(cyclopropylmethyl)-1-propan-2-ylguanidine has a molecular weight of 252.41 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-cyclohexyl-1-(cyclopropylmethyl)-1-propan-2-ylguanidine is sourced from PubChem (CID 104885486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).