N'-[2-(dimethylamino)ethyl]adamantane-1-carboximidamide;dihydrochloride

C15H29Cl2N3 — CID 18373592

IUPACN'-[2-(dimethylamino)ethyl]adamantane-1-carboximidamide;dihydrochloride
SMILESCN(C)CC/N=C(\N)C12CC3CC(CC(C3)C1)C2.Cl.Cl
InChIInChI=1S/C15H27N3.2ClH/c1-18(2)4-3-17-14(16)15-8-11-5-12(9-15)7-13(6-11)10-15;;/h11-13H,3-10H2,1-2H3,(H2,16,17);2*1H
InChIKeyLAOUKQNPTMAJQN-UHFFFAOYSA-N
MW322.32 g/mol
LogP2.97
Rot. Bonds4

About N'-[2-(dimethylamino)ethyl]adamantane-1-carboximidamide;dihydrochloride

N'-[2-(dimethylamino)ethyl]adamantane-1-carboximidamide;dihydrochloride (PubChem CID 18373592) has the molecular formula C15H29Cl2N3 and a molecular weight of 322.32 g/mol. Its IUPAC name is N'-[2-(dimethylamino)ethyl]adamantane-1-carboximidamide;dihydrochloride.

Molecular Properties

Compound NameN'-[2-(dimethylamino)ethyl]adamantane-1-carboximidamide;dihydrochloride
PubChem CID18373592
Molecular FormulaC15H29Cl2N3
Molecular Weight322.32 g/mol
Exact Mass321.17
IUPAC NameN'-[2-(dimethylamino)ethyl]adamantane-1-carboximidamide;dihydrochloride
SMILESCN(C)CC/N=C(\N)C12CC3CC(CC(C3)C1)C2.Cl.Cl
InChIInChI=1S/C15H27N3.2ClH/c1-18(2)4-3-17-14(16)15-8-11-5-12(9-15)7-13(6-11)10-15;;/h11-13H,3-10H2,1-2H3,(H2,16,17);2*1H
InChIKeyLAOUKQNPTMAJQN-UHFFFAOYSA-N
XLogP2.97
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'-hydroxyadamantane-1-carboximidamide
CID 6019767
2-(dimethylamino)ethyl (3S,6S)-tricyclo[4.3.1.13,8]undecane-1-carboxylate
CID 98097063
2-(dimethylamino)ethyl tricyclo[4.3.1.13,8]undecane-1-carboxylate
CID 2836046
N-[2-(dimethylamino)ethyl]adamantane-1-carboxamide
CID 3041449
N-[2-(dimethylamino)ethyl]tricyclo[4.3.1.13,8]undecane-1-carboxamide;hydrochloride
CID 5340149
N'-tert-butyladamantane-1-carboximidamide
CID 63181228
N'-benzyladamantane-1-carboximidamide
CID 18373602
N-[2-(dimethylamino)ethyl]tricyclo[4.3.1.13,8]undecane-3-carboxamide;hydrochloride
CID 2851654
(3R,6R)-N-[2-(dimethylamino)ethyl]tricyclo[4.3.1.13,8]undecane-1-carboxamide
CID 6345940
bis[2-(dimethylamino)ethyl] adamantane-1,3-dicarboxylate dichloride
CID 21205610
N-(3-amino-3-hydroxyiminopropyl)-N-ethyladamantane-1-carboxamide
CID 76910496
adamantane-1-carboxamide
CID 21686

Frequently Asked Questions

What is the IUPAC name of N'-[2-(dimethylamino)ethyl]adamantane-1-carboximidamide;dihydrochloride?
The IUPAC name of N'-[2-(dimethylamino)ethyl]adamantane-1-carboximidamide;dihydrochloride (CID 18373592) is N'-[2-(dimethylamino)ethyl]adamantane-1-carboximidamide;dihydrochloride.
What is the SMILES notation for N'-[2-(dimethylamino)ethyl]adamantane-1-carboximidamide;dihydrochloride?
The canonical SMILES for N'-[2-(dimethylamino)ethyl]adamantane-1-carboximidamide;dihydrochloride is CN(C)CC/N=C(\N)C12CC3CC(CC(C3)C1)C2.Cl.Cl.
What is the InChIKey of N'-[2-(dimethylamino)ethyl]adamantane-1-carboximidamide;dihydrochloride?
The InChIKey is LAOUKQNPTMAJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3.2ClH/c1-18(2)4-3-17-14(16)15-8-11-5-12(9-15)7-13(6-11)10-15;;/h11-13H,3-10H2,1-2H3,(H2,16,17);2*1H.
What are the key properties of N'-[2-(dimethylamino)ethyl]adamantane-1-carboximidamide;dihydrochloride?
N'-[2-(dimethylamino)ethyl]adamantane-1-carboximidamide;dihydrochloride has a molecular weight of 322.32 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(dimethylamino)ethyl]adamantane-1-carboximidamide;dihydrochloride is sourced from PubChem (CID 18373592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).