1-(1-adamantyl)-2-(propan-2-ylamino)propan-1-one;hydrochloride

C16H28ClNO — CID 2870479

IUPAC1-(1-adamantyl)-2-(propan-2-ylamino)propan-1-one;hydrochloride
SMILESCC(C)NC(C)C(=O)C12CC3CC(CC(C3)C1)C2.Cl
InChIInChI=1S/C16H27NO.ClH/c1-10(2)17-11(3)15(18)16-7-12-4-13(8-16)6-14(5-12)9-16;/h10-14,17H,4-9H2,1-3H3;1H
InChIKeyRBNVJVSVRNSYDO-UHFFFAOYSA-N
MW285.86 g/mol
LogP3.58
Rot. Bonds4

About 1-(1-adamantyl)-2-(propan-2-ylamino)propan-1-one;hydrochloride

1-(1-adamantyl)-2-(propan-2-ylamino)propan-1-one;hydrochloride (PubChem CID 2870479) has the molecular formula C16H28ClNO and a molecular weight of 285.86 g/mol. Its IUPAC name is 1-(1-adamantyl)-2-(propan-2-ylamino)propan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(1-adamantyl)-2-(propan-2-ylamino)propan-1-one;hydrochloride
PubChem CID2870479
Molecular FormulaC16H28ClNO
Molecular Weight285.86 g/mol
Exact Mass285.19
IUPAC Name1-(1-adamantyl)-2-(propan-2-ylamino)propan-1-one;hydrochloride
SMILESCC(C)NC(C)C(=O)C12CC3CC(CC(C3)C1)C2.Cl
InChIInChI=1S/C16H27NO.ClH/c1-10(2)17-11(3)15(18)16-7-12-4-13(8-16)6-14(5-12)9-16;/h10-14,17H,4-9H2,1-3H3;1H
InChIKeyRBNVJVSVRNSYDO-UHFFFAOYSA-N
XLogP3.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.86
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-Adamantyl)-2-(isopropylamino)ethanone
CID 551582
1-Adamantan-1-yl-2-(2-dimethylamino-ethylamino)-propan-1-one
CID 16681791
1-((3r,5r,7r)-Adamantan-1-yl)-2-((2-methoxyethyl)amino)propan-1-one hydrochloride
CID 2850439
1-((3r,5r,7r)-Adamantan-1-yl)-2-((2-methoxyethyl)amino)ethanone hydrochloride
CID 2941897
1-((3r,5r,7r)-Adamantan-1-yl)-2-((2-hydroxyethyl)amino)propan-1-one hydrochloride
CID 6603368
1-(1-Adamantanyl)-2-[2-(dimethylamino)ethylamino]-1-propanone
CID 3807199
2-(Dimethylamino)-1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)propan-1-one
CID 2728846
2-(Methylamino)-1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)propan-1-one
CID 2836030
2-(Pyrrolidin-1-yl)-1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)propan-1-one
CID 2836042
3-(1-Adamantylamino)butan-2-one
CID 138965305
2-[(2-Hydroxyethyl)amino]-1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)propan-1-one
CID 658762
1-(1-Adamantyl)-2-(2-methoxyethylamino)propan-1-one
CID 660986

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-2-(propan-2-ylamino)propan-1-one;hydrochloride?
The IUPAC name of 1-(1-adamantyl)-2-(propan-2-ylamino)propan-1-one;hydrochloride (CID 2870479) is 1-(1-adamantyl)-2-(propan-2-ylamino)propan-1-one;hydrochloride.
What is the SMILES notation for 1-(1-adamantyl)-2-(propan-2-ylamino)propan-1-one;hydrochloride?
The canonical SMILES for 1-(1-adamantyl)-2-(propan-2-ylamino)propan-1-one;hydrochloride is CC(C)NC(C)C(=O)C12CC3CC(CC(C3)C1)C2.Cl.
What is the InChIKey of 1-(1-adamantyl)-2-(propan-2-ylamino)propan-1-one;hydrochloride?
The InChIKey is RBNVJVSVRNSYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO.ClH/c1-10(2)17-11(3)15(18)16-7-12-4-13(8-16)6-14(5-12)9-16;/h10-14,17H,4-9H2,1-3H3;1H.
What are the key properties of 1-(1-adamantyl)-2-(propan-2-ylamino)propan-1-one;hydrochloride?
1-(1-adamantyl)-2-(propan-2-ylamino)propan-1-one;hydrochloride has a molecular weight of 285.86 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-2-(propan-2-ylamino)propan-1-one;hydrochloride is sourced from PubChem (CID 2870479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).