[1-(aminomethyl)cyclohexyl]methanamine;2-butyl-1-carbamimidoylguanidine;hydrochloride

C14H34ClN7 — CID 176537270

IUPAC[1-(aminomethyl)cyclohexyl]methanamine;2-butyl-1-carbamimidoylguanidine;hydrochloride
SMILESCl.NCC1(CN)CCCCC1.[H]/N=C(\N)N/C(N)=N/CCCC
InChIInChI=1S/C8H18N2.C6H15N5.ClH/c9-6-8(7-10)4-2-1-3-5-8;1-2-3-4-10-6(9)11-5(7)8;/h1-7,9-10H2;2-4H2,1H3,(H6,7,8,9,10,11);1H
InChIKeyKIBZDUQVXFFFTF-UHFFFAOYSA-N
MW335.93 g/mol
LogP0.86
Rot. Bonds5

About [1-(aminomethyl)cyclohexyl]methanamine;2-butyl-1-carbamimidoylguanidine;hydrochloride

[1-(aminomethyl)cyclohexyl]methanamine;2-butyl-1-carbamimidoylguanidine;hydrochloride (PubChem CID 176537270) has the molecular formula C14H34ClN7 and a molecular weight of 335.93 g/mol. Its IUPAC name is [1-(aminomethyl)cyclohexyl]methanamine;2-butyl-1-carbamimidoylguanidine;hydrochloride.

Molecular Properties

Compound Name[1-(aminomethyl)cyclohexyl]methanamine;2-butyl-1-carbamimidoylguanidine;hydrochloride
PubChem CID176537270
Molecular FormulaC14H34ClN7
Molecular Weight335.93 g/mol
Exact Mass335.26
IUPAC Name[1-(aminomethyl)cyclohexyl]methanamine;2-butyl-1-carbamimidoylguanidine;hydrochloride
SMILESCl.NCC1(CN)CCCCC1.[H]/N=C(\N)N/C(N)=N/CCCC
InChIInChI=1S/C8H18N2.C6H15N5.ClH/c9-6-8(7-10)4-2-1-3-5-8;1-2-3-4-10-6(9)11-5(7)8;/h1-7,9-10H2;2-4H2,1H3,(H6,7,8,9,10,11);1H
InChIKeyKIBZDUQVXFFFTF-UHFFFAOYSA-N
XLogP0.86
TPSA152.32 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.93
LogP ≤ 50.86
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-butyl-1-carbamimidoylguanidine;oxetane;hydrochloride
CID 176532485
2-butyl-1-carbamimidoylguanidine;hydrogen peroxide;hydrochloride
CID 176535329
2-butyl-1-carbamimidoylguanidine;cyanic acid;hydrochloride
CID 176524968
2-butyl-1-carbamimidoylguanidine;dihydroxy(dioxo)chromium;hydrochloride
CID 176527980
CID 176522224
CID 176522224
1-carbamimidoyl-2-hexylguanidine
CID 176518657
acetyl chloride;2-butyl-1-carbamimidoylguanidine;hydrochloride
CID 176521105
2-butyl-1-carbamimidoylguanidine;nitric acid;hydrochloride
CID 176536553
(E)-but-2-enedioic acid;2-butyl-1-carbamimidoylguanidine
CID 176533786
2-[8-[[amino(carbamimidamido)methylidene]amino]octyl]-1-carbamimidoylguanidine
CID 176524022
benzene-1,3-diamine;2-butyl-1-carbamimidoylguanidine;hydrochloride
CID 176543735
1-carbamimidoyl-2-[[1-(2-methylpropyl)cyclopentyl]methyl]guanidine
CID 176546953

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclohexyl]methanamine;2-butyl-1-carbamimidoylguanidine;hydrochloride?
The IUPAC name of [1-(aminomethyl)cyclohexyl]methanamine;2-butyl-1-carbamimidoylguanidine;hydrochloride (CID 176537270) is [1-(aminomethyl)cyclohexyl]methanamine;2-butyl-1-carbamimidoylguanidine;hydrochloride.
What is the SMILES notation for [1-(aminomethyl)cyclohexyl]methanamine;2-butyl-1-carbamimidoylguanidine;hydrochloride?
The canonical SMILES for [1-(aminomethyl)cyclohexyl]methanamine;2-butyl-1-carbamimidoylguanidine;hydrochloride is Cl.NCC1(CN)CCCCC1.[H]/N=C(\N)N/C(N)=N/CCCC.
What is the InChIKey of [1-(aminomethyl)cyclohexyl]methanamine;2-butyl-1-carbamimidoylguanidine;hydrochloride?
The InChIKey is KIBZDUQVXFFFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2.C6H15N5.ClH/c9-6-8(7-10)4-2-1-3-5-8;1-2-3-4-10-6(9)11-5(7)8;/h1-7,9-10H2;2-4H2,1H3,(H6,7,8,9,10,11);1H.
What are the key properties of [1-(aminomethyl)cyclohexyl]methanamine;2-butyl-1-carbamimidoylguanidine;hydrochloride?
[1-(aminomethyl)cyclohexyl]methanamine;2-butyl-1-carbamimidoylguanidine;hydrochloride has a molecular weight of 335.93 g/mol, XLogP of 0.86, 5 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclohexyl]methanamine;2-butyl-1-carbamimidoylguanidine;hydrochloride is sourced from PubChem (CID 176537270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).