N-(N'-dodecylcarbamimidoyl)-4-methylpiperazine-1-carboximidamide;hydrochloride

C19H41ClN6 — CID 176533213

IUPACN-(N'-dodecylcarbamimidoyl)-4-methylpiperazine-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N/C(N)=N/CCCCCCCCCCCC)N1CCN(C)CC1
InChIInChI=1S/C19H40N6.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-22-18(20)23-19(21)25-16-14-24(2)15-17-25;/h3-17H2,1-2H3,(H4,20,21,22,23);1H
InChIKeyNFQNSIVUAWLNOJ-UHFFFAOYSA-N
MW389.03 g/mol
LogP3.42
Rot. Bonds11

About N-(N'-dodecylcarbamimidoyl)-4-methylpiperazine-1-carboximidamide;hydrochloride

N-(N'-dodecylcarbamimidoyl)-4-methylpiperazine-1-carboximidamide;hydrochloride (PubChem CID 176533213) has the molecular formula C19H41ClN6 and a molecular weight of 389.03 g/mol. Its IUPAC name is N-(N'-dodecylcarbamimidoyl)-4-methylpiperazine-1-carboximidamide;hydrochloride.

Molecular Properties

Compound NameN-(N'-dodecylcarbamimidoyl)-4-methylpiperazine-1-carboximidamide;hydrochloride
PubChem CID176533213
Molecular FormulaC19H41ClN6
Molecular Weight389.03 g/mol
Exact Mass388.31
IUPAC NameN-(N'-dodecylcarbamimidoyl)-4-methylpiperazine-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N/C(N)=N/CCCCCCCCCCCC)N1CCN(C)CC1
InChIInChI=1S/C19H40N6.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-22-18(20)23-19(21)25-16-14-24(2)15-17-25;/h3-17H2,1-2H3,(H4,20,21,22,23);1H
InChIKeyNFQNSIVUAWLNOJ-UHFFFAOYSA-N
XLogP3.42
TPSA80.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.03
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

1-carbamimidoyl-2-hexylguanidine
CID 176518657
1-[N'-[8-[[amino-[(N'-hexylcarbamimidoyl)amino]methylidene]amino]octyl]carbamimidoyl]-2-hexylguanidine
CID 90672033
1-[N'-[4-[[amino-[(N'-nonylcarbamimidoyl)amino]methylidene]amino]butyl]carbamimidoyl]-2-nonylguanidine
CID 90672025
1,1-dimethyl-3-(N'-pentylcarbamimidoyl)guanidine;hydrochloride
CID 176524917
(N'-hexylcarbamimidoyl)urea
CID 87601330
2-butyl-1-carbamimidoylguanidine;hydrogen peroxide;hydrochloride
CID 176535329
1-carbamimidamido-2-hexylguanidine
CID 176532426
2-butyl-1-carbamimidoylguanidine;oxetane;hydrochloride
CID 176532485
2-[8-[[amino(carbamimidamido)methylidene]amino]octyl]-1-carbamimidoylguanidine
CID 176524022
N-(N'-methylcarbamimidoyl)piperidine-1-carboximidamide;hydrochloride
CID 176523223
CID 176522224
CID 176522224
2-butyl-1-carbamimidoylguanidine;dihydroxy(dioxo)chromium;hydrochloride
CID 176527980

Frequently Asked Questions

What is the IUPAC name of N-(N'-dodecylcarbamimidoyl)-4-methylpiperazine-1-carboximidamide;hydrochloride?
The IUPAC name of N-(N'-dodecylcarbamimidoyl)-4-methylpiperazine-1-carboximidamide;hydrochloride (CID 176533213) is N-(N'-dodecylcarbamimidoyl)-4-methylpiperazine-1-carboximidamide;hydrochloride.
What is the SMILES notation for N-(N'-dodecylcarbamimidoyl)-4-methylpiperazine-1-carboximidamide;hydrochloride?
The canonical SMILES for N-(N'-dodecylcarbamimidoyl)-4-methylpiperazine-1-carboximidamide;hydrochloride is Cl.[H]/N=C(\N/C(N)=N/CCCCCCCCCCCC)N1CCN(C)CC1.
What is the InChIKey of N-(N'-dodecylcarbamimidoyl)-4-methylpiperazine-1-carboximidamide;hydrochloride?
The InChIKey is NFQNSIVUAWLNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N6.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-22-18(20)23-19(21)25-16-14-24(2)15-17-25;/h3-17H2,1-2H3,(H4,20,21,22,23);1H.
What are the key properties of N-(N'-dodecylcarbamimidoyl)-4-methylpiperazine-1-carboximidamide;hydrochloride?
N-(N'-dodecylcarbamimidoyl)-4-methylpiperazine-1-carboximidamide;hydrochloride has a molecular weight of 389.03 g/mol, XLogP of 3.42, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(N'-dodecylcarbamimidoyl)-4-methylpiperazine-1-carboximidamide;hydrochloride is sourced from PubChem (CID 176533213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).