(3-ethyl-5-phenyl-1-adamantyl)methanamine

C19H27N — CID 142519813

IUPAC(3-ethyl-5-phenyl-1-adamantyl)methanamine
SMILESCCC12CC3CC(CN)(C1)CC(c1ccccc1)(C3)C2
InChIInChI=1S/C19H27N/c1-2-17-8-15-9-18(11-17,14-20)13-19(10-15,12-17)16-6-4-3-5-7-16/h3-7,15H,2,8-14,20H2,1H3
InChIKeyIRDQUVRBTYERQC-UHFFFAOYSA-N
MW269.43 g/mol
LogP4.26
Rot. Bonds3

About (3-ethyl-5-phenyl-1-adamantyl)methanamine

(3-ethyl-5-phenyl-1-adamantyl)methanamine (PubChem CID 142519813) has the molecular formula C19H27N and a molecular weight of 269.43 g/mol. Its IUPAC name is (3-ethyl-5-phenyl-1-adamantyl)methanamine.

Molecular Properties

Compound Name(3-ethyl-5-phenyl-1-adamantyl)methanamine
PubChem CID142519813
Molecular FormulaC19H27N
Molecular Weight269.43 g/mol
Exact Mass269.21
IUPAC Name(3-ethyl-5-phenyl-1-adamantyl)methanamine
SMILESCCC12CC3CC(CN)(C1)CC(c1ccccc1)(C3)C2
InChIInChI=1S/C19H27N/c1-2-17-8-15-9-18(11-17,14-20)13-19(10-15,12-17)16-6-4-3-5-7-16/h3-7,15H,2,8-14,20H2,1H3
InChIKeyIRDQUVRBTYERQC-UHFFFAOYSA-N
XLogP4.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[4-[2-(3-ethyl-5-phenyl-1-adamantyl)ethyl]cyclohexyl]methanamine
CID 157358034
4-[3-ethyl-5-(4-hydroxyphenyl)-1-adamantyl]phenol
CID 118038366
6-ethyl-1-phenyltricyclo[4.3.1.13,8]undecane-3-carboxamide;molecular hydrogen
CID 142519943
(3R,5R)-N-(6-aminospiro[3.3]heptan-2-yl)-3-ethyl-5-phenyladamantane-1-carboxamide
CID 171762331
1,3,5-triethyladamantane
CID 21415733
2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-[(3S,5S)-3-ethyl-5-phenyl-1-adamantyl]ethanone
CID 157269484
[4-[3-(4-cyanato-3-phenylphenyl)-5-ethyl-1-adamantyl]-2-phenylphenyl] cyanate
CID 118338465
[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]methanamine
CID 1377968
(5R)-N-(3,3-dimethylpiperidin-4-yl)-3-ethyl-5-phenyladamantane-1-carboxamide
CID 137436159
2-[(5R,7S)-3-phenyl-1-adamantyl]acetamide
CID 27835435
1-[[(3R,5R)-3-methyl-5-phenyl-1-adamantyl]methyl]piperidin-4-amine
CID 137436018
methyl 3-(hydroxymethyl)-5-phenyladamantane-1-carboxylate
CID 137424690

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-5-phenyl-1-adamantyl)methanamine?
The IUPAC name of (3-ethyl-5-phenyl-1-adamantyl)methanamine (CID 142519813) is (3-ethyl-5-phenyl-1-adamantyl)methanamine.
What is the SMILES notation for (3-ethyl-5-phenyl-1-adamantyl)methanamine?
The canonical SMILES for (3-ethyl-5-phenyl-1-adamantyl)methanamine is CCC12CC3CC(CN)(C1)CC(c1ccccc1)(C3)C2.
What is the InChIKey of (3-ethyl-5-phenyl-1-adamantyl)methanamine?
The InChIKey is IRDQUVRBTYERQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N/c1-2-17-8-15-9-18(11-17,14-20)13-19(10-15,12-17)16-6-4-3-5-7-16/h3-7,15H,2,8-14,20H2,1H3.
What are the key properties of (3-ethyl-5-phenyl-1-adamantyl)methanamine?
(3-ethyl-5-phenyl-1-adamantyl)methanamine has a molecular weight of 269.43 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-5-phenyl-1-adamantyl)methanamine is sourced from PubChem (CID 142519813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).