2-[[(1R,2S)-2-cyclohexylcyclopropyl]methyl]-1,1,3,3-tetramethylguanidine

C15H29N3 — CID 122096529

IUPAC2-[[(1R,2S)-2-cyclohexylcyclopropyl]methyl]-1,1,3,3-tetramethylguanidine
SMILESCN(C)C(=NC[C@@H]1C[C@H]1C1CCCCC1)N(C)C
InChIInChI=1S/C15H29N3/c1-17(2)15(18(3)4)16-11-13-10-14(13)12-8-6-5-7-9-12/h12-14H,5-11H2,1-4H3/t13-,14-/m0/s1
InChIKeyJRVZLCPFQBMXBZ-KBPBESRZSA-N
MW251.42 g/mol
LogP2.68
Rot. Bonds3

About 2-[[(1R,2S)-2-cyclohexylcyclopropyl]methyl]-1,1,3,3-tetramethylguanidine

2-[[(1R,2S)-2-cyclohexylcyclopropyl]methyl]-1,1,3,3-tetramethylguanidine (PubChem CID 122096529) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 2-[[(1R,2S)-2-cyclohexylcyclopropyl]methyl]-1,1,3,3-tetramethylguanidine.

Molecular Properties

Compound Name2-[[(1R,2S)-2-cyclohexylcyclopropyl]methyl]-1,1,3,3-tetramethylguanidine
PubChem CID122096529
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name2-[[(1R,2S)-2-cyclohexylcyclopropyl]methyl]-1,1,3,3-tetramethylguanidine
SMILESCN(C)C(=NC[C@@H]1C[C@H]1C1CCCCC1)N(C)C
InChIInChI=1S/C15H29N3/c1-17(2)15(18(3)4)16-11-13-10-14(13)12-8-6-5-7-9-12/h12-14H,5-11H2,1-4H3/t13-,14-/m0/s1
InChIKeyJRVZLCPFQBMXBZ-KBPBESRZSA-N
XLogP2.68
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 52.68
H-Bond Donors ≤ 50
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

2-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-1-propan-2-ylguanidine
CID 122125683
N'-[[(1R,2S)-2-cyclohexylcyclopropyl]methyl]thiomorpholine-4-carboximidamide
CID 122096518
1,1,3,3-tetramethyl-2-[(2-propan-2-yloxan-3-yl)methyl]guanidine
CID 111800070
1,1,3,3-tetramethyl-2-[(2-propan-2-yloxan-3-yl)methyl]guanidine;hydroiodide
CID 111800069
N'-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-3-methylpiperidine-1-carboximidamide
CID 122125675
2-(3-cyclohexylpropyl)-1,1,3,3-tetramethylguanidine;hydroiodide
CID 111062815
2-[(4-ethylcyclohexyl)methyl]-1,1,3,3-tetramethylguanidine;hydroiodide
CID 111076575
[2-(2-methylpropyl)cyclopropyl]cyclopentane
CID 19768855
1,1,3,3-tetramethyl-2-[(5-methyloxolan-2-yl)methyl]guanidine
CID 122098480
2-(2-cyclopentylcyclopropyl)ethanamine
CID 83826413
(2-methylcyclopropyl)cyclooctane
CID 19768877
(2-prop-2-enylcyclopropyl)cyclopentane
CID 154518505

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R,2S)-2-cyclohexylcyclopropyl]methyl]-1,1,3,3-tetramethylguanidine?
The IUPAC name of 2-[[(1R,2S)-2-cyclohexylcyclopropyl]methyl]-1,1,3,3-tetramethylguanidine (CID 122096529) is 2-[[(1R,2S)-2-cyclohexylcyclopropyl]methyl]-1,1,3,3-tetramethylguanidine.
What is the SMILES notation for 2-[[(1R,2S)-2-cyclohexylcyclopropyl]methyl]-1,1,3,3-tetramethylguanidine?
The canonical SMILES for 2-[[(1R,2S)-2-cyclohexylcyclopropyl]methyl]-1,1,3,3-tetramethylguanidine is CN(C)C(=NC[C@@H]1C[C@H]1C1CCCCC1)N(C)C.
What is the InChIKey of 2-[[(1R,2S)-2-cyclohexylcyclopropyl]methyl]-1,1,3,3-tetramethylguanidine?
The InChIKey is JRVZLCPFQBMXBZ-KBPBESRZSA-N. The full InChI is InChI=1S/C15H29N3/c1-17(2)15(18(3)4)16-11-13-10-14(13)12-8-6-5-7-9-12/h12-14H,5-11H2,1-4H3/t13-,14-/m0/s1.
What are the key properties of 2-[[(1R,2S)-2-cyclohexylcyclopropyl]methyl]-1,1,3,3-tetramethylguanidine?
2-[[(1R,2S)-2-cyclohexylcyclopropyl]methyl]-1,1,3,3-tetramethylguanidine has a molecular weight of 251.42 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R,2S)-2-cyclohexylcyclopropyl]methyl]-1,1,3,3-tetramethylguanidine is sourced from PubChem (CID 122096529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).