2-[[(1S,2R)-2-(1-aminoethyl)-5-hydroxycyclohexyl]methyl]guanidine

C10H22N4O — CID 129073874

IUPAC2-[[(1S,2R)-2-(1-aminoethyl)-5-hydroxycyclohexyl]methyl]guanidine
SMILESCC(N)[C@@H]1CCC(O)C[C@@H]1CN=C(N)N
InChIInChI=1S/C10H22N4O/c1-6(11)9-3-2-8(15)4-7(9)5-14-10(12)13/h6-9,15H,2-5,11H2,1H3,(H4,12,13,14)/t6?,7-,8?,9+/m1/s1
InChIKeyXNPSTAZYSVLNOR-VBSAPZBBSA-N
MW214.31 g/mol
LogP-0.62
Rot. Bonds3

About 2-[[(1S,2R)-2-(1-aminoethyl)-5-hydroxycyclohexyl]methyl]guanidine

2-[[(1S,2R)-2-(1-aminoethyl)-5-hydroxycyclohexyl]methyl]guanidine (PubChem CID 129073874) has the molecular formula C10H22N4O and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-[[(1S,2R)-2-(1-aminoethyl)-5-hydroxycyclohexyl]methyl]guanidine.

Molecular Properties

Compound Name2-[[(1S,2R)-2-(1-aminoethyl)-5-hydroxycyclohexyl]methyl]guanidine
PubChem CID129073874
Molecular FormulaC10H22N4O
Molecular Weight214.31 g/mol
Exact Mass214.18
IUPAC Name2-[[(1S,2R)-2-(1-aminoethyl)-5-hydroxycyclohexyl]methyl]guanidine
SMILESCC(N)[C@@H]1CCC(O)C[C@@H]1CN=C(N)N
InChIInChI=1S/C10H22N4O/c1-6(11)9-3-2-8(15)4-7(9)5-14-10(12)13/h6-9,15H,2-5,11H2,1H3,(H4,12,13,14)/t6?,7-,8?,9+/m1/s1
InChIKeyXNPSTAZYSVLNOR-VBSAPZBBSA-N
XLogP-0.62
TPSA110.65 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 5-0.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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-[2-(1-aminoethyl)cyclobutyl]ethanamine
CID 22627804
3-(2-aminopropyl)-4-methoxycyclohexan-1-ol
CID 154699686
2-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-1-propan-2-ylguanidine
CID 122125683
(1R,3R,4S)-4-propan-2-ylcyclohexane-1,3-diol
CID 130918219
cis-(1S,2S)-2-[(1R)-1-aminoethyl]cyclopropan-1-amine
CID 89424924
(1S,3S,4R)-3-methyl-4-propan-2-ylcyclohexan-1-ol
CID 176720342
1-tert-butyl-2-[(3-hydroxycyclopentyl)methyl]guanidine
CID 106136629
2-[[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]guanidine;hydroiodide
CID 130921427
1-(2-propan-2-ylcyclobutyl)ethanamine
CID 147498269
2-methyl-N'-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)propanimidamide
CID 130505243
2-(1-aminoethyl)-4-propylcyclohexan-1-ol
CID 170419376
4-[(diaminomethylideneamino)methyl]cyclohexane-1-carboxylic acid
CID 3726379

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S,2R)-2-(1-aminoethyl)-5-hydroxycyclohexyl]methyl]guanidine?
The IUPAC name of 2-[[(1S,2R)-2-(1-aminoethyl)-5-hydroxycyclohexyl]methyl]guanidine (CID 129073874) is 2-[[(1S,2R)-2-(1-aminoethyl)-5-hydroxycyclohexyl]methyl]guanidine.
What is the SMILES notation for 2-[[(1S,2R)-2-(1-aminoethyl)-5-hydroxycyclohexyl]methyl]guanidine?
The canonical SMILES for 2-[[(1S,2R)-2-(1-aminoethyl)-5-hydroxycyclohexyl]methyl]guanidine is CC(N)[C@@H]1CCC(O)C[C@@H]1CN=C(N)N.
What is the InChIKey of 2-[[(1S,2R)-2-(1-aminoethyl)-5-hydroxycyclohexyl]methyl]guanidine?
The InChIKey is XNPSTAZYSVLNOR-VBSAPZBBSA-N. The full InChI is InChI=1S/C10H22N4O/c1-6(11)9-3-2-8(15)4-7(9)5-14-10(12)13/h6-9,15H,2-5,11H2,1H3,(H4,12,13,14)/t6?,7-,8?,9+/m1/s1.
What are the key properties of 2-[[(1S,2R)-2-(1-aminoethyl)-5-hydroxycyclohexyl]methyl]guanidine?
2-[[(1S,2R)-2-(1-aminoethyl)-5-hydroxycyclohexyl]methyl]guanidine has a molecular weight of 214.31 g/mol, XLogP of -0.62, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S,2R)-2-(1-aminoethyl)-5-hydroxycyclohexyl]methyl]guanidine is sourced from PubChem (CID 129073874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).