1-(1-adamantyl)-2,2-dimethylpropan-1-amine

C15H27N — CID 12619343

IUPAC1-(1-adamantyl)-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)C(N)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H27N/c1-14(2,3)13(16)15-7-10-4-11(8-15)6-12(5-10)9-15/h10-13H,4-9,16H2,1-3H3
InChIKeyDKRPVOXRQOGIOQ-UHFFFAOYSA-N
MW221.39 g/mol
LogP3.58
Rot. Bonds1

About 1-(1-adamantyl)-2,2-dimethylpropan-1-amine

1-(1-adamantyl)-2,2-dimethylpropan-1-amine (PubChem CID 12619343) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 1-(1-adamantyl)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-(1-adamantyl)-2,2-dimethylpropan-1-amine
PubChem CID12619343
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name1-(1-adamantyl)-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)C(N)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H27N/c1-14(2,3)13(16)15-7-10-4-11(8-15)6-12(5-10)9-15/h10-13H,4-9,16H2,1-3H3
InChIKeyDKRPVOXRQOGIOQ-UHFFFAOYSA-N
XLogP3.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(1-adamantyl)ethanamine
CID 7048786
[1,1-bis(1-adamantyl)-2-methylpropan-2-yl]phosphane
CID 67083235
1-(1-adamantyl)-2-cyclopropylethanamine
CID 64904037
1-propan-2-yladamantane;1-propan-2-ylbicyclo[1.1.1]pentane
CID 159977923
1-(1-adamantyl)ethylhydrazine
CID 23008707
1-[(1R)-1-chloroethyl]adamantane
CID 94672919
1-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)ethanamine
CID 123905764
(1S)-1-(1-adamantyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 166445853
1-(1-adamantyl)-2-(3-methoxy-3-methylbutoxy)ethanamine
CID 106665278
2-(1-adamantyl)-2-aminoacetic acid;hydrochloride
CID 75301043
2-(1-adamantyl)-2-aminoacetic acid;dihydrochloride
CID 131675912
ethyl (2R)-2-(1-adamantyl)-2-aminoacetate
CID 124669862

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-2,2-dimethylpropan-1-amine?
The IUPAC name of 1-(1-adamantyl)-2,2-dimethylpropan-1-amine (CID 12619343) is 1-(1-adamantyl)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-(1-adamantyl)-2,2-dimethylpropan-1-amine?
The canonical SMILES for 1-(1-adamantyl)-2,2-dimethylpropan-1-amine is CC(C)(C)C(N)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-2,2-dimethylpropan-1-amine?
The InChIKey is DKRPVOXRQOGIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-14(2,3)13(16)15-7-10-4-11(8-15)6-12(5-10)9-15/h10-13H,4-9,16H2,1-3H3.
What are the key properties of 1-(1-adamantyl)-2,2-dimethylpropan-1-amine?
1-(1-adamantyl)-2,2-dimethylpropan-1-amine has a molecular weight of 221.39 g/mol, XLogP of 3.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 12619343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).