1-cyclohexyl-1-propan-2-ylguanidine

C10H21N3 — CID 154230508

IUPAC1-cyclohexyl-1-propan-2-ylguanidine
SMILES[H]/N=C(\N)N(C(C)C)C1CCCCC1
InChIInChI=1S/C10H21N3/c1-8(2)13(10(11)12)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H3,11,12)
InChIKeyVKZTVUNIKCTCMP-UHFFFAOYSA-N
MW183.30 g/mol
LogP1.92
Rot. Bonds2

About 1-cyclohexyl-1-propan-2-ylguanidine

1-cyclohexyl-1-propan-2-ylguanidine (PubChem CID 154230508) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is 1-cyclohexyl-1-propan-2-ylguanidine.

Molecular Properties

Compound Name1-cyclohexyl-1-propan-2-ylguanidine
PubChem CID154230508
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC Name1-cyclohexyl-1-propan-2-ylguanidine
SMILES[H]/N=C(\N)N(C(C)C)C1CCCCC1
InChIInChI=1S/C10H21N3/c1-8(2)13(10(11)12)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H3,11,12)
InChIKeyVKZTVUNIKCTCMP-UHFFFAOYSA-N
XLogP1.92
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.92
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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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-propan-2-ylguanidine?
The IUPAC name of 1-cyclohexyl-1-propan-2-ylguanidine (CID 154230508) is 1-cyclohexyl-1-propan-2-ylguanidine.
What is the SMILES notation for 1-cyclohexyl-1-propan-2-ylguanidine?
The canonical SMILES for 1-cyclohexyl-1-propan-2-ylguanidine is [H]/N=C(\N)N(C(C)C)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-propan-2-ylguanidine?
The InChIKey is VKZTVUNIKCTCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3/c1-8(2)13(10(11)12)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H3,11,12).
What are the key properties of 1-cyclohexyl-1-propan-2-ylguanidine?
1-cyclohexyl-1-propan-2-ylguanidine has a molecular weight of 183.30 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-propan-2-ylguanidine is sourced from PubChem (CID 154230508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).