1-amino-3-(2-methoxypropyl)-2-methylguanidine

C6H16N4O — CID 102702160

IUPAC1-amino-3-(2-methoxypropyl)-2-methylguanidine
SMILESC/N=C(\NN)NCC(C)OC
InChIInChI=1S/C6H16N4O/c1-5(11-3)4-9-6(8-2)10-7/h5H,4,7H2,1-3H3,(H2,8,9,10)
InChIKeyNFCMWVMGVOPRDG-UHFFFAOYSA-N
MW160.22 g/mol
LogP-0.94
Rot. Bonds3

About 1-amino-3-(2-methoxypropyl)-2-methylguanidine

1-amino-3-(2-methoxypropyl)-2-methylguanidine (PubChem CID 102702160) has the molecular formula C6H16N4O and a molecular weight of 160.22 g/mol. Its IUPAC name is 1-amino-3-(2-methoxypropyl)-2-methylguanidine.

Molecular Properties

Compound Name1-amino-3-(2-methoxypropyl)-2-methylguanidine
PubChem CID102702160
Molecular FormulaC6H16N4O
Molecular Weight160.22 g/mol
Exact Mass160.13
IUPAC Name1-amino-3-(2-methoxypropyl)-2-methylguanidine
SMILESC/N=C(\NN)NCC(C)OC
InChIInChI=1S/C6H16N4O/c1-5(11-3)4-9-6(8-2)10-7/h5H,4,7H2,1-3H3,(H2,8,9,10)
InChIKeyNFCMWVMGVOPRDG-UHFFFAOYSA-N
XLogP-0.94
TPSA71.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 5-0.94
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-(2-ethoxypropyl)-2-methylguanidine
CID 104882468
2-methoxypropylthiourea
CID 102697400
N-(2-methoxypropyl)acetamide
CID 90876780
1-amino-2-methyl-3-(5-methylhexyl)guanidine
CID 104882389
1-amino-2-(2-methoxypropyl)-3-(3-methoxypropyl)guanidine
CID 102702156
1-(2-methoxy-3,3-dimethylbutyl)-2-methyl-3-propan-2-ylguanidine
CID 111834651
1-(2-methoxy-3,3-dimethylbutyl)-2-methyl-3-(2-methylpropyl)guanidine;hydroiodide
CID 111711332
ethyl 4-(2-methoxypropylamino)-4-oxobutanoate
CID 102694605
1-[2-(4-methoxyphenoxy)propyl]-2,3-dimethylguanidine;hydroiodide
CID 111465658
4-amino-N-(2-methoxypropyl)pentanamide
CID 102694842
N-(2-methoxypropyl)-2-sulfanylpropanamide
CID 107036659
1-amino-2-methyl-3-(4-methylpentan-2-yl)guanidine
CID 104881993

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-methoxypropyl)-2-methylguanidine?
The IUPAC name of 1-amino-3-(2-methoxypropyl)-2-methylguanidine (CID 102702160) is 1-amino-3-(2-methoxypropyl)-2-methylguanidine.
What is the SMILES notation for 1-amino-3-(2-methoxypropyl)-2-methylguanidine?
The canonical SMILES for 1-amino-3-(2-methoxypropyl)-2-methylguanidine is C/N=C(\NN)NCC(C)OC.
What is the InChIKey of 1-amino-3-(2-methoxypropyl)-2-methylguanidine?
The InChIKey is NFCMWVMGVOPRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N4O/c1-5(11-3)4-9-6(8-2)10-7/h5H,4,7H2,1-3H3,(H2,8,9,10).
What are the key properties of 1-amino-3-(2-methoxypropyl)-2-methylguanidine?
1-amino-3-(2-methoxypropyl)-2-methylguanidine has a molecular weight of 160.22 g/mol, XLogP of -0.94, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-methoxypropyl)-2-methylguanidine is sourced from PubChem (CID 102702160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).