2-(1-adamantylmethyl)guanidine;hydrochloride

C12H22ClN3 — CID 141469451

IUPAC2-(1-adamantylmethyl)guanidine;hydrochloride
SMILESCl.NC(N)=NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C12H21N3.ClH/c13-11(14)15-7-12-4-8-1-9(5-12)3-10(2-8)6-12;/h8-10H,1-7H2,(H4,13,14,15);1H
InChIKeyZRLWJIIHHSCUFD-UHFFFAOYSA-N
MW243.78 g/mol
LogP1.90
Rot. Bonds2

About 2-(1-adamantylmethyl)guanidine;hydrochloride

2-(1-adamantylmethyl)guanidine;hydrochloride (PubChem CID 141469451) has the molecular formula C12H22ClN3 and a molecular weight of 243.78 g/mol. Its IUPAC name is 2-(1-adamantylmethyl)guanidine;hydrochloride.

Molecular Properties

Compound Name2-(1-adamantylmethyl)guanidine;hydrochloride
PubChem CID141469451
Molecular FormulaC12H22ClN3
Molecular Weight243.78 g/mol
Exact Mass243.15
IUPAC Name2-(1-adamantylmethyl)guanidine;hydrochloride
SMILESCl.NC(N)=NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C12H21N3.ClH/c13-11(14)15-7-12-4-8-1-9(5-12)3-10(2-8)6-12;/h8-10H,1-7H2,(H4,13,14,15);1H
InChIKeyZRLWJIIHHSCUFD-UHFFFAOYSA-N
XLogP1.90
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.78
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(1-adamantyl)ethyl]-2-sulfanylethanimidamide;hydrochloride
CID 90668578
1-adamantylmethanol;hydrochloride
CID 141053946
2-(1-adamantylmethyl)-1-[5-(azocan-1-yl)pentyl]guanidine;dihydrochloride
CID 22500553
2-(1-adamantylmethyl)-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111026426
2-(1-adamantylmethyl)-1-[2-(2-pyrrolidin-1-ylethoxy)ethyl]guanidine
CID 22500514
1-(1-adamantyl)propan-2-ol
CID 5154050
Adamantylsilicone
CID 18798576
[(3S,6S)-1-tricyclo[4.3.1.13,8]undecanyl]methanol
CID 6974562
7-(1-adamantyl)heptanamide
CID 173130136
N'-[2-(dimethylamino)ethyl]adamantane-1-carboximidamide;dihydrochloride
CID 18373592
N'-(1-bicyclo[2.2.2]octanylmethyl)-2-sulfanylethanimidamide;hydrochloride
CID 90668632
N'-hydroxyadamantane-1-carboximidamide
CID 6019767

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantylmethyl)guanidine;hydrochloride?
The IUPAC name of 2-(1-adamantylmethyl)guanidine;hydrochloride (CID 141469451) is 2-(1-adamantylmethyl)guanidine;hydrochloride.
What is the SMILES notation for 2-(1-adamantylmethyl)guanidine;hydrochloride?
The canonical SMILES for 2-(1-adamantylmethyl)guanidine;hydrochloride is Cl.NC(N)=NCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantylmethyl)guanidine;hydrochloride?
The InChIKey is ZRLWJIIHHSCUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3.ClH/c13-11(14)15-7-12-4-8-1-9(5-12)3-10(2-8)6-12;/h8-10H,1-7H2,(H4,13,14,15);1H.
What are the key properties of 2-(1-adamantylmethyl)guanidine;hydrochloride?
2-(1-adamantylmethyl)guanidine;hydrochloride has a molecular weight of 243.78 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantylmethyl)guanidine;hydrochloride is sourced from PubChem (CID 141469451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).