3-ethyl-N,5-dimethyl-N-propan-2-yladamantan-1-amine

C17H31N — CID 10399830

IUPAC3-ethyl-N,5-dimethyl-N-propan-2-yladamantan-1-amine
SMILESCCC12CC3CC(C)(C1)CC(N(C)C(C)C)(C3)C2
InChIInChI=1S/C17H31N/c1-6-16-8-14-7-15(4,10-16)11-17(9-14,12-16)18(5)13(2)3/h13-14H,6-12H2,1-5H3
InChIKeyZLINKLCTCIIHNN-UHFFFAOYSA-N
MW249.44 g/mol
LogP4.47
Rot. Bonds3

About 3-ethyl-N,5-dimethyl-N-propan-2-yladamantan-1-amine

3-ethyl-N,5-dimethyl-N-propan-2-yladamantan-1-amine (PubChem CID 10399830) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is 3-ethyl-N,5-dimethyl-N-propan-2-yladamantan-1-amine.

Molecular Properties

Compound Name3-ethyl-N,5-dimethyl-N-propan-2-yladamantan-1-amine
PubChem CID10399830
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC Name3-ethyl-N,5-dimethyl-N-propan-2-yladamantan-1-amine
SMILESCCC12CC3CC(C)(C1)CC(N(C)C(C)C)(C3)C2
InChIInChI=1S/C17H31N/c1-6-16-8-14-7-15(4,10-16)11-17(9-14,12-16)18(5)13(2)3/h13-14H,6-12H2,1-5H3
InChIKeyZLINKLCTCIIHNN-UHFFFAOYSA-N
XLogP4.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.44
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N,5-dimethyl-N-propan-2-yladamantan-1-amine?
The IUPAC name of 3-ethyl-N,5-dimethyl-N-propan-2-yladamantan-1-amine (CID 10399830) is 3-ethyl-N,5-dimethyl-N-propan-2-yladamantan-1-amine.
What is the SMILES notation for 3-ethyl-N,5-dimethyl-N-propan-2-yladamantan-1-amine?
The canonical SMILES for 3-ethyl-N,5-dimethyl-N-propan-2-yladamantan-1-amine is CCC12CC3CC(C)(C1)CC(N(C)C(C)C)(C3)C2.
What is the InChIKey of 3-ethyl-N,5-dimethyl-N-propan-2-yladamantan-1-amine?
The InChIKey is ZLINKLCTCIIHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N/c1-6-16-8-14-7-15(4,10-16)11-17(9-14,12-16)18(5)13(2)3/h13-14H,6-12H2,1-5H3.
What are the key properties of 3-ethyl-N,5-dimethyl-N-propan-2-yladamantan-1-amine?
3-ethyl-N,5-dimethyl-N-propan-2-yladamantan-1-amine has a molecular weight of 249.44 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N,5-dimethyl-N-propan-2-yladamantan-1-amine is sourced from PubChem (CID 10399830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).