1-amino-2-[[1-(dimethylamino)cyclopentyl]methyl]-3-(3-ethoxypropyl)guanidine

C14H31N5O — CID 104888113

IUPAC1-amino-2-[[1-(dimethylamino)cyclopentyl]methyl]-3-(3-ethoxypropyl)guanidine
SMILESCCOCCCN/C(=N\CC1(N(C)C)CCCC1)NN
InChIInChI=1S/C14H31N5O/c1-4-20-11-7-10-16-13(18-15)17-12-14(19(2)3)8-5-6-9-14/h4-12,15H2,1-3H3,(H2,16,17,18)
InChIKeyHRAHGVMTQIHACQ-UHFFFAOYSA-N
MW285.44 g/mol
LogP0.70
Rot. Bonds8

About 1-amino-2-[[1-(dimethylamino)cyclopentyl]methyl]-3-(3-ethoxypropyl)guanidine

1-amino-2-[[1-(dimethylamino)cyclopentyl]methyl]-3-(3-ethoxypropyl)guanidine (PubChem CID 104888113) has the molecular formula C14H31N5O and a molecular weight of 285.44 g/mol. Its IUPAC name is 1-amino-2-[[1-(dimethylamino)cyclopentyl]methyl]-3-(3-ethoxypropyl)guanidine.

Molecular Properties

Compound Name1-amino-2-[[1-(dimethylamino)cyclopentyl]methyl]-3-(3-ethoxypropyl)guanidine
PubChem CID104888113
Molecular FormulaC14H31N5O
Molecular Weight285.44 g/mol
Exact Mass285.25
IUPAC Name1-amino-2-[[1-(dimethylamino)cyclopentyl]methyl]-3-(3-ethoxypropyl)guanidine
SMILESCCOCCCN/C(=N\CC1(N(C)C)CCCC1)NN
InChIInChI=1S/C14H31N5O/c1-4-20-11-7-10-16-13(18-15)17-12-14(19(2)3)8-5-6-9-14/h4-12,15H2,1-3H3,(H2,16,17,18)
InChIKeyHRAHGVMTQIHACQ-UHFFFAOYSA-N
XLogP0.70
TPSA74.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[[1-(dimethylamino)cyclobutyl]methyl]-3-(2-methoxyethyl)guanidine
CID 105421183
1-amino-3-(3-ethoxypropyl)-2-(oxolan-2-ylmethyl)guanidine
CID 104883123
1-(3-ethoxypropyl)-2-[(1-hydroxycyclopentyl)methyl]guanidine;hydroiodide
CID 111088638
1-amino-3-(3-ethoxypropyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
CID 104888188
1-amino-3-(3-ethoxypropyl)-2-(thian-4-ylmethyl)guanidine
CID 104888608
1-amino-2-(1,3-benzodioxol-5-ylmethyl)-3-(3-ethoxypropyl)guanidine
CID 116511199
1-amino-3-[3-(diethylamino)propyl]-2-(3-ethoxypropyl)guanidine
CID 104883061
1-amino-3-(3-ethoxypropyl)-2-[(4-fluorophenyl)methyl]guanidine
CID 116512385
1-amino-3-(3-ethoxypropyl)-2-(3-methylsulfonylpropyl)guanidine
CID 104884681
1-amino-3-(3-ethoxypropyl)-2-(2-methyl-3-methylsulfanylpropyl)guanidine
CID 104886195
1-amino-3-(3-ethoxypropyl)-2-[(1-ethylpiperidin-4-yl)methyl]guanidine
CID 104885124
1-amino-3-(3-ethoxypropyl)-2-(3-phenoxypropyl)guanidine
CID 116513377

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[[1-(dimethylamino)cyclopentyl]methyl]-3-(3-ethoxypropyl)guanidine?
The IUPAC name of 1-amino-2-[[1-(dimethylamino)cyclopentyl]methyl]-3-(3-ethoxypropyl)guanidine (CID 104888113) is 1-amino-2-[[1-(dimethylamino)cyclopentyl]methyl]-3-(3-ethoxypropyl)guanidine.
What is the SMILES notation for 1-amino-2-[[1-(dimethylamino)cyclopentyl]methyl]-3-(3-ethoxypropyl)guanidine?
The canonical SMILES for 1-amino-2-[[1-(dimethylamino)cyclopentyl]methyl]-3-(3-ethoxypropyl)guanidine is CCOCCCN/C(=N\CC1(N(C)C)CCCC1)NN.
What is the InChIKey of 1-amino-2-[[1-(dimethylamino)cyclopentyl]methyl]-3-(3-ethoxypropyl)guanidine?
The InChIKey is HRAHGVMTQIHACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N5O/c1-4-20-11-7-10-16-13(18-15)17-12-14(19(2)3)8-5-6-9-14/h4-12,15H2,1-3H3,(H2,16,17,18).
What are the key properties of 1-amino-2-[[1-(dimethylamino)cyclopentyl]methyl]-3-(3-ethoxypropyl)guanidine?
1-amino-2-[[1-(dimethylamino)cyclopentyl]methyl]-3-(3-ethoxypropyl)guanidine has a molecular weight of 285.44 g/mol, XLogP of 0.70, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[[1-(dimethylamino)cyclopentyl]methyl]-3-(3-ethoxypropyl)guanidine is sourced from PubChem (CID 104888113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).