1-amino-3-[(3-methylcyclopentyl)methyl]-2-(2-methylpropyl)guanidine

C12H26N4 — CID 107416145

IUPAC1-amino-3-[(3-methylcyclopentyl)methyl]-2-(2-methylpropyl)guanidine
SMILESCC(C)C/N=C(\NN)NCC1CCC(C)C1
InChIInChI=1S/C12H26N4/c1-9(2)7-14-12(16-13)15-8-11-5-4-10(3)6-11/h9-11H,4-8,13H2,1-3H3,(H2,14,15,16)
InChIKeyHXZFNPCIUSAUHH-UHFFFAOYSA-N
MW226.37 g/mol
LogP1.49
Rot. Bonds4

About 1-amino-3-[(3-methylcyclopentyl)methyl]-2-(2-methylpropyl)guanidine

1-amino-3-[(3-methylcyclopentyl)methyl]-2-(2-methylpropyl)guanidine (PubChem CID 107416145) has the molecular formula C12H26N4 and a molecular weight of 226.37 g/mol. Its IUPAC name is 1-amino-3-[(3-methylcyclopentyl)methyl]-2-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name1-amino-3-[(3-methylcyclopentyl)methyl]-2-(2-methylpropyl)guanidine
PubChem CID107416145
Molecular FormulaC12H26N4
Molecular Weight226.37 g/mol
Exact Mass226.22
IUPAC Name1-amino-3-[(3-methylcyclopentyl)methyl]-2-(2-methylpropyl)guanidine
SMILESCC(C)C/N=C(\NN)NCC1CCC(C)C1
InChIInChI=1S/C12H26N4/c1-9(2)7-14-12(16-13)15-8-11-5-4-10(3)6-11/h9-11H,4-8,13H2,1-3H3,(H2,14,15,16)
InChIKeyHXZFNPCIUSAUHH-UHFFFAOYSA-N
XLogP1.49
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.37
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-2-(2-methylpropyl)-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine
CID 106026186
1-amino-2-(2-methylpropyl)-3-(thian-2-ylmethyl)guanidine
CID 104887588
3-methyl-N'-(2-methylpropyl)cyclopentane-1-carboximidamide
CID 65414057
1-amino-3-butyl-2-(2-methylpropyl)guanidine
CID 104882833
1-amino-3-(1,4-dioxan-2-ylmethyl)-2-(2-methylpropyl)guanidine
CID 104884344
N-[2-[[N-amino-N'-(2-methylpropyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 104888724
(3-methylcyclopentyl)methylurea
CID 20542807
1-amino-3-(3-methylbutyl)-2-(2-methylpropyl)guanidine
CID 104882994
2-amino-2-methyl-N-[(3-methylcyclopentyl)methyl]propanamide
CID 107413148
1-amino-3-(3-ethylcyclohexyl)-2-(2-methylpropyl)guanidine
CID 104886815
(2R)-4-methyl-2-[(3-methylcyclopentyl)methylcarbamoylamino]pentanoic acid
CID 107414550
2-bromo-N-[(3-methylcyclopentyl)methyl]acetamide
CID 107412345

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[(3-methylcyclopentyl)methyl]-2-(2-methylpropyl)guanidine?
The IUPAC name of 1-amino-3-[(3-methylcyclopentyl)methyl]-2-(2-methylpropyl)guanidine (CID 107416145) is 1-amino-3-[(3-methylcyclopentyl)methyl]-2-(2-methylpropyl)guanidine.
What is the SMILES notation for 1-amino-3-[(3-methylcyclopentyl)methyl]-2-(2-methylpropyl)guanidine?
The canonical SMILES for 1-amino-3-[(3-methylcyclopentyl)methyl]-2-(2-methylpropyl)guanidine is CC(C)C/N=C(\NN)NCC1CCC(C)C1.
What is the InChIKey of 1-amino-3-[(3-methylcyclopentyl)methyl]-2-(2-methylpropyl)guanidine?
The InChIKey is HXZFNPCIUSAUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4/c1-9(2)7-14-12(16-13)15-8-11-5-4-10(3)6-11/h9-11H,4-8,13H2,1-3H3,(H2,14,15,16).
What are the key properties of 1-amino-3-[(3-methylcyclopentyl)methyl]-2-(2-methylpropyl)guanidine?
1-amino-3-[(3-methylcyclopentyl)methyl]-2-(2-methylpropyl)guanidine has a molecular weight of 226.37 g/mol, XLogP of 1.49, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[(3-methylcyclopentyl)methyl]-2-(2-methylpropyl)guanidine is sourced from PubChem (CID 107416145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).