1-amino-3-(1,4-dioxan-2-ylmethyl)-2-(2-methylpropyl)guanidine

C10H22N4O2 — CID 104884344

IUPAC1-amino-3-(1,4-dioxan-2-ylmethyl)-2-(2-methylpropyl)guanidine
SMILESCC(C)C/N=C(\NN)NCC1COCCO1
InChIInChI=1S/C10H22N4O2/c1-8(2)5-12-10(14-11)13-6-9-7-15-3-4-16-9/h8-9H,3-7,11H2,1-2H3,(H2,12,13,14)
InChIKeyWVHHKEGKAZTNIT-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.53
Rot. Bonds4

About 1-amino-3-(1,4-dioxan-2-ylmethyl)-2-(2-methylpropyl)guanidine

1-amino-3-(1,4-dioxan-2-ylmethyl)-2-(2-methylpropyl)guanidine (PubChem CID 104884344) has the molecular formula C10H22N4O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-amino-3-(1,4-dioxan-2-ylmethyl)-2-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name1-amino-3-(1,4-dioxan-2-ylmethyl)-2-(2-methylpropyl)guanidine
PubChem CID104884344
Molecular FormulaC10H22N4O2
Molecular Weight230.31 g/mol
Exact Mass230.17
IUPAC Name1-amino-3-(1,4-dioxan-2-ylmethyl)-2-(2-methylpropyl)guanidine
SMILESCC(C)C/N=C(\NN)NCC1COCCO1
InChIInChI=1S/C10H22N4O2/c1-8(2)5-12-10(14-11)13-6-9-7-15-3-4-16-9/h8-9H,3-7,11H2,1-2H3,(H2,12,13,14)
InChIKeyWVHHKEGKAZTNIT-UHFFFAOYSA-N
XLogP-0.53
TPSA80.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'}

Analyze 1-amino-3-(1,4-dioxan-2-ylmethyl)-2-(2-methylpropyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1,4-Dioxan-2-ylmethyl)-2-(2-methylpropyl)guanidine
CID 62363323
1-Amino-2-(2-methoxypropyl)-3-(3-methoxypropyl)guanidine
CID 102702156
1-Amino-3-(2-methoxypropyl)-2-(2-methylpropyl)guanidine
CID 102702159
1-Amino-3-(2-methoxyethyl)-2-(2-methoxypropyl)guanidine
CID 102702168
1-Amino-3-(3-ethoxypropyl)-2-(2-methoxypropyl)guanidine
CID 102702169
1-Amino-3-(1,4-dioxan-2-ylmethyl)-2-methylguanidine
CID 104882047
1-Amino-3-(2-ethoxypropyl)-2-methylguanidine
CID 104882468
1-Amino-2-methyl-3-[2-(2-methylpropoxy)ethyl]guanidine
CID 104882496
1-Amino-3-(2-ethoxyethyl)-2-(3-ethoxypropyl)guanidine
CID 104882701
1-Amino-3-(2-ethoxyethyl)-2-(3-methoxypropyl)guanidine
CID 104882705
1-Amino-3-(2-ethoxyethyl)-2-(2-methylpropyl)guanidine
CID 104882708
1-Amino-2-(3-ethoxypropyl)-3-(2-methoxyethyl)guanidine
CID 104882810

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(1,4-dioxan-2-ylmethyl)-2-(2-methylpropyl)guanidine?
The IUPAC name of 1-amino-3-(1,4-dioxan-2-ylmethyl)-2-(2-methylpropyl)guanidine (CID 104884344) is 1-amino-3-(1,4-dioxan-2-ylmethyl)-2-(2-methylpropyl)guanidine.
What is the SMILES notation for 1-amino-3-(1,4-dioxan-2-ylmethyl)-2-(2-methylpropyl)guanidine?
The canonical SMILES for 1-amino-3-(1,4-dioxan-2-ylmethyl)-2-(2-methylpropyl)guanidine is CC(C)C/N=C(\NN)NCC1COCCO1.
What is the InChIKey of 1-amino-3-(1,4-dioxan-2-ylmethyl)-2-(2-methylpropyl)guanidine?
The InChIKey is WVHHKEGKAZTNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O2/c1-8(2)5-12-10(14-11)13-6-9-7-15-3-4-16-9/h8-9H,3-7,11H2,1-2H3,(H2,12,13,14).
What are the key properties of 1-amino-3-(1,4-dioxan-2-ylmethyl)-2-(2-methylpropyl)guanidine?
1-amino-3-(1,4-dioxan-2-ylmethyl)-2-(2-methylpropyl)guanidine has a molecular weight of 230.31 g/mol, XLogP of -0.53, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(1,4-dioxan-2-ylmethyl)-2-(2-methylpropyl)guanidine is sourced from PubChem (CID 104884344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).