1-amino-3-cyclopropyl-2-(oxan-2-ylmethyl)guanidine

C10H20N4O — CID 104884451

IUPAC1-amino-3-cyclopropyl-2-(oxan-2-ylmethyl)guanidine
SMILESNN/C(=N\CC1CCCCO1)NC1CC1
InChIInChI=1S/C10H20N4O/c11-14-10(13-8-4-5-8)12-7-9-3-1-2-6-15-9/h8-9H,1-7,11H2,(H2,12,13,14)
InChIKeyPOSDQACTDGTNMJ-UHFFFAOYSA-N
MW212.30 g/mol
LogP0.13
Rot. Bonds3

About 1-amino-3-cyclopropyl-2-(oxan-2-ylmethyl)guanidine

1-amino-3-cyclopropyl-2-(oxan-2-ylmethyl)guanidine (PubChem CID 104884451) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is 1-amino-3-cyclopropyl-2-(oxan-2-ylmethyl)guanidine.

Molecular Properties

Compound Name1-amino-3-cyclopropyl-2-(oxan-2-ylmethyl)guanidine
PubChem CID104884451
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Name1-amino-3-cyclopropyl-2-(oxan-2-ylmethyl)guanidine
SMILESNN/C(=N\CC1CCCCO1)NC1CC1
InChIInChI=1S/C10H20N4O/c11-14-10(13-8-4-5-8)12-7-9-3-1-2-6-15-9/h8-9H,1-7,11H2,(H2,12,13,14)
InChIKeyPOSDQACTDGTNMJ-UHFFFAOYSA-N
XLogP0.13
TPSA71.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

1-amino-3-cyclopentyl-2-(1,4-dioxan-2-ylmethyl)guanidine
CID 104884342
1-cyclopentyl-3-ethyl-2-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 110991164
1-amino-3-cyclopentyl-2-(cyclopentylmethyl)guanidine
CID 104883783
N'-(oxan-2-ylmethyl)cyclopentanecarboximidamide
CID 63177022
1-amino-3-(3-ethoxypropyl)-2-(oxolan-2-ylmethyl)guanidine
CID 104883123
1-cyclopentyl-3-[2-(furan-2-yl)ethyl]-2-(oxan-2-ylmethyl)guanidine;hydroiodide
CID 111842135
1-amino-3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]guanidine
CID 104885819
2-methyl-N'-(oxan-2-ylmethyl)propanimidamide
CID 63177019
1-amino-2-(2-cyclohexylethyl)-3-cyclopropylguanidine
CID 104884183
1-amino-3-cyclohexyl-2-(thiolan-2-ylmethyl)guanidine
CID 104887499
1-amino-2-(3-cyclopentylpropyl)-3-cyclopropylguanidine
CID 106013169
1-amino-3-cyclohexyl-2-(thiolan-3-ylmethyl)guanidine
CID 107299078

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-cyclopropyl-2-(oxan-2-ylmethyl)guanidine?
The IUPAC name of 1-amino-3-cyclopropyl-2-(oxan-2-ylmethyl)guanidine (CID 104884451) is 1-amino-3-cyclopropyl-2-(oxan-2-ylmethyl)guanidine.
What is the SMILES notation for 1-amino-3-cyclopropyl-2-(oxan-2-ylmethyl)guanidine?
The canonical SMILES for 1-amino-3-cyclopropyl-2-(oxan-2-ylmethyl)guanidine is NN/C(=N\CC1CCCCO1)NC1CC1.
What is the InChIKey of 1-amino-3-cyclopropyl-2-(oxan-2-ylmethyl)guanidine?
The InChIKey is POSDQACTDGTNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c11-14-10(13-8-4-5-8)12-7-9-3-1-2-6-15-9/h8-9H,1-7,11H2,(H2,12,13,14).
What are the key properties of 1-amino-3-cyclopropyl-2-(oxan-2-ylmethyl)guanidine?
1-amino-3-cyclopropyl-2-(oxan-2-ylmethyl)guanidine has a molecular weight of 212.30 g/mol, XLogP of 0.13, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-cyclopropyl-2-(oxan-2-ylmethyl)guanidine is sourced from PubChem (CID 104884451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).