3-amino-1-cyclopentyl-2-(1-methoxypropan-2-yl)-1-(2-methylpropyl)guanidine

C14H30N4O — CID 104887549

IUPAC3-amino-1-cyclopentyl-2-(1-methoxypropan-2-yl)-1-(2-methylpropyl)guanidine
SMILESCOCC(C)/N=C(\NN)N(CC(C)C)C1CCCC1
InChIInChI=1S/C14H30N4O/c1-11(2)9-18(13-7-5-6-8-13)14(17-15)16-12(3)10-19-4/h11-13H,5-10,15H2,1-4H3,(H,16,17)
InChIKeyTZNBNYUOWDZDOL-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.74
Rot. Bonds6

About 3-amino-1-cyclopentyl-2-(1-methoxypropan-2-yl)-1-(2-methylpropyl)guanidine

3-amino-1-cyclopentyl-2-(1-methoxypropan-2-yl)-1-(2-methylpropyl)guanidine (PubChem CID 104887549) has the molecular formula C14H30N4O and a molecular weight of 270.42 g/mol. Its IUPAC name is 3-amino-1-cyclopentyl-2-(1-methoxypropan-2-yl)-1-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name3-amino-1-cyclopentyl-2-(1-methoxypropan-2-yl)-1-(2-methylpropyl)guanidine
PubChem CID104887549
Molecular FormulaC14H30N4O
Molecular Weight270.42 g/mol
Exact Mass270.24
IUPAC Name3-amino-1-cyclopentyl-2-(1-methoxypropan-2-yl)-1-(2-methylpropyl)guanidine
SMILESCOCC(C)/N=C(\NN)N(CC(C)C)C1CCCC1
InChIInChI=1S/C14H30N4O/c1-11(2)9-18(13-7-5-6-8-13)14(17-15)16-12(3)10-19-4/h11-13H,5-10,15H2,1-4H3,(H,16,17)
InChIKeyTZNBNYUOWDZDOL-UHFFFAOYSA-N
XLogP1.74
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.74
H-Bond Donors ≤ 52
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

3-amino-1-cyclopropyl-2-(1-methoxypropan-2-yl)-1-methylguanidine
CID 104883526
3-amino-1-ethyl-2-(1-methoxypropan-2-yl)-1-(2-methylpropyl)guanidine
CID 104883492
3-amino-1-ethyl-1-(2-ethylbutyl)-2-(1-methoxypropan-2-yl)guanidine
CID 104884792
3-amino-2-(1-methoxypropan-2-yl)-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]guanidine
CID 104886039
3-amino-1-ethyl-2-(1-methoxypropan-2-yl)-1-propylguanidine
CID 104883585
3-amino-1-cyclopentyl-1-ethyl-2-(2-methylpropyl)guanidine
CID 104883817
3-amino-1-(2-ethoxyethyl)-2-(1-methoxypropan-2-yl)-1-methylguanidine
CID 104887482
3-amino-1-butyl-1-ethyl-2-(1-methoxypropan-2-yl)guanidine
CID 104883410
N-cyclohexyl-4-methoxy-N-(2-methylpropyl)butanamide
CID 145047882
2-amino-N-cyclopentyl-3-methoxy-N-(3-methylbutyl)propanamide
CID 81101488
1-cyclopentyl-2-cyclopropyl-1-(2-methylpropyl)guanidine
CID 78967117
N'-(1-methoxypropan-2-yl)ethanimidamide
CID 62049796

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-cyclopentyl-2-(1-methoxypropan-2-yl)-1-(2-methylpropyl)guanidine?
The IUPAC name of 3-amino-1-cyclopentyl-2-(1-methoxypropan-2-yl)-1-(2-methylpropyl)guanidine (CID 104887549) is 3-amino-1-cyclopentyl-2-(1-methoxypropan-2-yl)-1-(2-methylpropyl)guanidine.
What is the SMILES notation for 3-amino-1-cyclopentyl-2-(1-methoxypropan-2-yl)-1-(2-methylpropyl)guanidine?
The canonical SMILES for 3-amino-1-cyclopentyl-2-(1-methoxypropan-2-yl)-1-(2-methylpropyl)guanidine is COCC(C)/N=C(\NN)N(CC(C)C)C1CCCC1.
What is the InChIKey of 3-amino-1-cyclopentyl-2-(1-methoxypropan-2-yl)-1-(2-methylpropyl)guanidine?
The InChIKey is TZNBNYUOWDZDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O/c1-11(2)9-18(13-7-5-6-8-13)14(17-15)16-12(3)10-19-4/h11-13H,5-10,15H2,1-4H3,(H,16,17).
What are the key properties of 3-amino-1-cyclopentyl-2-(1-methoxypropan-2-yl)-1-(2-methylpropyl)guanidine?
3-amino-1-cyclopentyl-2-(1-methoxypropan-2-yl)-1-(2-methylpropyl)guanidine has a molecular weight of 270.42 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-cyclopentyl-2-(1-methoxypropan-2-yl)-1-(2-methylpropyl)guanidine is sourced from PubChem (CID 104887549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).