2-(1-adamantyl)-N-ethylpropan-2-amine

C15H27N — CID 3010142

IUPAC2-(1-adamantyl)-N-ethylpropan-2-amine
SMILESCCNC(C)(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H27N/c1-4-16-14(2,3)15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13,16H,4-10H2,1-3H3
InChIKeyWDOCZNQOCMJHJZ-UHFFFAOYSA-N
MW221.39 g/mol
LogP3.59
Rot. Bonds3

About 2-(1-adamantyl)-N-ethylpropan-2-amine

2-(1-adamantyl)-N-ethylpropan-2-amine (PubChem CID 3010142) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-ethylpropan-2-amine.

Molecular Properties

Compound Name2-(1-adamantyl)-N-ethylpropan-2-amine
PubChem CID3010142
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name2-(1-adamantyl)-N-ethylpropan-2-amine
SMILESCCNC(C)(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H27N/c1-4-16-14(2,3)15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13,16H,4-10H2,1-3H3
InChIKeyWDOCZNQOCMJHJZ-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(Methylamino)adamantane
CID 19476
N-Ethyladamantan-1-amine
CID 19480
N-(1-Adamantyl)ethylenediamine
CID 303798
2-(1-Adamantyl)piperidine
CID 467461
2-(1-Adamantyl)pyrrolidine
CID 511811
N-methyladamantan-2-amine
CID 25334
((Adamantan-1-yl)methyl)(methyl)amine
CID 3010130
4-(Adamantan-1-yl)piperidine
CID 84084813
N-ethyl-3,5-dimethyl-adamantan-1-amine
CID 5276625
Tricyclo(3.3.1.1(3,7))decan-1-amine, N-(1-methylethyl)-
CID 19332
N-methyladamantan-1-amine hydrochloride
CID 19477
Adamantane, 1-(2-ethylaminoethyl)-, hydrochloride, hydrate
CID 33618

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-ethylpropan-2-amine?
The IUPAC name of 2-(1-adamantyl)-N-ethylpropan-2-amine (CID 3010142) is 2-(1-adamantyl)-N-ethylpropan-2-amine.
What is the SMILES notation for 2-(1-adamantyl)-N-ethylpropan-2-amine?
The canonical SMILES for 2-(1-adamantyl)-N-ethylpropan-2-amine is CCNC(C)(C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)-N-ethylpropan-2-amine?
The InChIKey is WDOCZNQOCMJHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-4-16-14(2,3)15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13,16H,4-10H2,1-3H3.
What are the key properties of 2-(1-adamantyl)-N-ethylpropan-2-amine?
2-(1-adamantyl)-N-ethylpropan-2-amine has a molecular weight of 221.39 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-ethylpropan-2-amine is sourced from PubChem (CID 3010142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).