1-amino-2-butyl-3-(1-methoxypropan-2-yl)guanidine

C9H22N4O — CID 104882948

IUPAC1-amino-2-butyl-3-(1-methoxypropan-2-yl)guanidine
SMILESCCCC/N=C(\NN)NC(C)COC
InChIInChI=1S/C9H22N4O/c1-4-5-6-11-9(13-10)12-8(2)7-14-3/h8H,4-7,10H2,1-3H3,(H2,11,12,13)
InChIKeySNDGQDYSBPREGD-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.23
Rot. Bonds6

About 1-amino-2-butyl-3-(1-methoxypropan-2-yl)guanidine

1-amino-2-butyl-3-(1-methoxypropan-2-yl)guanidine (PubChem CID 104882948) has the molecular formula C9H22N4O and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-amino-2-butyl-3-(1-methoxypropan-2-yl)guanidine.

Molecular Properties

Compound Name1-amino-2-butyl-3-(1-methoxypropan-2-yl)guanidine
PubChem CID104882948
Molecular FormulaC9H22N4O
Molecular Weight202.30 g/mol
Exact Mass202.18
IUPAC Name1-amino-2-butyl-3-(1-methoxypropan-2-yl)guanidine
SMILESCCCC/N=C(\NN)NC(C)COC
InChIInChI=1S/C9H22N4O/c1-4-5-6-11-9(13-10)12-8(2)7-14-3/h8H,4-7,10H2,1-3H3,(H2,11,12,13)
InChIKeySNDGQDYSBPREGD-UHFFFAOYSA-N
XLogP0.23
TPSA71.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-2-butyl-3-(4-methoxybutan-2-yl)guanidine
CID 104887008
1-amino-2-[2-(diethylamino)ethyl]-3-(1-methoxypropan-2-yl)guanidine
CID 104882891
1-amino-2-[2-[ethyl(methyl)amino]ethyl]-3-(1-methoxypropan-2-yl)guanidine
CID 104882549
1-ethyl-3-(1-methoxypropan-2-yl)-2-pentylguanidine;hydroiodide
CID 111235092
N-ethyl-3-[[hydrazinyl-(1-methoxypropan-2-ylamino)methylidene]amino]propanamide
CID 104888345
1-amino-2-butyl-3-[4-(dimethylamino)butan-2-yl]guanidine
CID 104885244
2-(3-butoxypropyl)-1-ethyl-3-(1-methoxypropan-2-yl)guanidine
CID 111235657
N-[2-[[hydrazinyl-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]acetamide
CID 104883820
1-amino-3-(1-methoxypropan-2-yl)-2-[2-(4-methylcyclohexyl)ethyl]guanidine
CID 104886649
1-amino-3-(1-methoxypropan-2-yl)-2-(3-morpholin-4-ylpropyl)guanidine
CID 104883471
1-amino-2-butyl-3-(1-cyclopropylpropan-2-yl)guanidine
CID 104886206
1-amino-3-heptan-2-yl-2-propylguanidine
CID 104885589

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-butyl-3-(1-methoxypropan-2-yl)guanidine?
The IUPAC name of 1-amino-2-butyl-3-(1-methoxypropan-2-yl)guanidine (CID 104882948) is 1-amino-2-butyl-3-(1-methoxypropan-2-yl)guanidine.
What is the SMILES notation for 1-amino-2-butyl-3-(1-methoxypropan-2-yl)guanidine?
The canonical SMILES for 1-amino-2-butyl-3-(1-methoxypropan-2-yl)guanidine is CCCC/N=C(\NN)NC(C)COC.
What is the InChIKey of 1-amino-2-butyl-3-(1-methoxypropan-2-yl)guanidine?
The InChIKey is SNDGQDYSBPREGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N4O/c1-4-5-6-11-9(13-10)12-8(2)7-14-3/h8H,4-7,10H2,1-3H3,(H2,11,12,13).
What are the key properties of 1-amino-2-butyl-3-(1-methoxypropan-2-yl)guanidine?
1-amino-2-butyl-3-(1-methoxypropan-2-yl)guanidine has a molecular weight of 202.30 g/mol, XLogP of 0.23, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-butyl-3-(1-methoxypropan-2-yl)guanidine is sourced from PubChem (CID 104882948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).