N-(1-adamantylmethyl)-N-methylethanamine;hydrochloride

C14H26ClN — CID 2834337

IUPACN-(1-adamantylmethyl)-N-methylethanamine;hydrochloride
SMILESCCN(C)CC12CC3CC(CC(C3)C1)C2.Cl
InChIInChI=1S/C14H25N.ClH/c1-3-15(2)10-14-7-11-4-12(8-14)6-13(5-11)9-14;/h11-13H,3-10H2,1-2H3;1H
InChIKeyGPZNUCBUPBRQCE-UHFFFAOYSA-N
MW243.82 g/mol
LogP3.58
Rot. Bonds3

About N-(1-adamantylmethyl)-N-methylethanamine;hydrochloride

N-(1-adamantylmethyl)-N-methylethanamine;hydrochloride (PubChem CID 2834337) has the molecular formula C14H26ClN and a molecular weight of 243.82 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-N-methylethanamine;hydrochloride.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-N-methylethanamine;hydrochloride
PubChem CID2834337
Molecular FormulaC14H26ClN
Molecular Weight243.82 g/mol
Exact Mass243.18
IUPAC NameN-(1-adamantylmethyl)-N-methylethanamine;hydrochloride
SMILESCCN(C)CC12CC3CC(CC(C3)C1)C2.Cl
InChIInChI=1S/C14H25N.ClH/c1-3-15(2)10-14-7-11-4-12(8-14)6-13(5-11)9-14;/h11-13H,3-10H2,1-2H3;1H
InChIKeyGPZNUCBUPBRQCE-UHFFFAOYSA-N
XLogP3.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.82
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-N-methylethanamine;hydrochloride?
The IUPAC name of N-(1-adamantylmethyl)-N-methylethanamine;hydrochloride (CID 2834337) is N-(1-adamantylmethyl)-N-methylethanamine;hydrochloride.
What is the SMILES notation for N-(1-adamantylmethyl)-N-methylethanamine;hydrochloride?
The canonical SMILES for N-(1-adamantylmethyl)-N-methylethanamine;hydrochloride is CCN(C)CC12CC3CC(CC(C3)C1)C2.Cl.
What is the InChIKey of N-(1-adamantylmethyl)-N-methylethanamine;hydrochloride?
The InChIKey is GPZNUCBUPBRQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N.ClH/c1-3-15(2)10-14-7-11-4-12(8-14)6-13(5-11)9-14;/h11-13H,3-10H2,1-2H3;1H.
What are the key properties of N-(1-adamantylmethyl)-N-methylethanamine;hydrochloride?
N-(1-adamantylmethyl)-N-methylethanamine;hydrochloride has a molecular weight of 243.82 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-N-methylethanamine;hydrochloride is sourced from PubChem (CID 2834337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).