(2R)-3-methyl-N-[1-(3-phenyl-1-bicyclo[1.1.1]pentanyl)ethenyl]butan-2-amine

C18H25N — CID 164977836

IUPAC(2R)-3-methyl-N-[1-(3-phenyl-1-bicyclo[1.1.1]pentanyl)ethenyl]butan-2-amine
SMILESC=C(N[C@H](C)C(C)C)C12CC(c3ccccc3)(C1)C2
InChIInChI=1S/C18H25N/c1-13(2)14(3)19-15(4)17-10-18(11-17,12-17)16-8-6-5-7-9-16/h5-9,13-14,19H,4,10-12H2,1-3H3/t14-,17?,18?/m1/s1
InChIKeyAHMOQVSWPGPYBV-RWBZWWBESA-N
MW255.41 g/mol
LogP4.26
Rot. Bonds5

About (2R)-3-methyl-N-[1-(3-phenyl-1-bicyclo[1.1.1]pentanyl)ethenyl]butan-2-amine

(2R)-3-methyl-N-[1-(3-phenyl-1-bicyclo[1.1.1]pentanyl)ethenyl]butan-2-amine (PubChem CID 164977836) has the molecular formula C18H25N and a molecular weight of 255.41 g/mol. Its IUPAC name is (2R)-3-methyl-N-[1-(3-phenyl-1-bicyclo[1.1.1]pentanyl)ethenyl]butan-2-amine.

Molecular Properties

Compound Name(2R)-3-methyl-N-[1-(3-phenyl-1-bicyclo[1.1.1]pentanyl)ethenyl]butan-2-amine
PubChem CID164977836
Molecular FormulaC18H25N
Molecular Weight255.41 g/mol
Exact Mass255.20
IUPAC Name(2R)-3-methyl-N-[1-(3-phenyl-1-bicyclo[1.1.1]pentanyl)ethenyl]butan-2-amine
SMILESC=C(N[C@H](C)C(C)C)C12CC(c3ccccc3)(C1)C2
InChIInChI=1S/C18H25N/c1-13(2)14(3)19-15(4)17-10-18(11-17,12-17)16-8-6-5-7-9-16/h5-9,13-14,19H,4,10-12H2,1-3H3/t14-,17?,18?/m1/s1
InChIKeyAHMOQVSWPGPYBV-RWBZWWBESA-N
XLogP4.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2R)-3-methyl-N-[1-(3-phenyl-1-bicyclo[1.1.1]pentanyl)ethenyl]butan-2-amine with MolForge

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Related Compounds

3-phenylbicyclo[1.1.1]pentane-1-carbonyl chloride
CID 134895483
1-methyl-3,5,7-triphenyladamantane
CID 20728636
2-(3-phenyl-1-bicyclo[1.1.1]pentanyl)propan-2-ol
CID 15579859
methyl 6-methylidene-3-phenyladamantane-1-carboxylate
CID 162754718
1-[(2S)-3-methylbutan-2-yl]-3-phenylthiourea
CID 89162476
1-N,2-N-bis[(2R)-3-methylbutan-2-yl]benzene-1,2-dicarboxamide
CID 786717
trans-(1R,2S)-2-methyl-2-phenyl-1-[(2,2,2-trifluoroacetyl)amino]cyclopropane-1-carboxylic acid
CID 178194698
N-(3-methylbutan-2-yl)-2-[4-(2-methylpropyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 42989141
[(2S)-1-methoxy-1-oxopropan-2-yl] (5S,7R)-3-phenyladamantane-1-carboxylate
CID 27919005
[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] (5S,7R)-3-phenyladamantane-1-carboxylate
CID 9408279
dimethyl-phenyl-(3-phenyl-1-bicyclo[1.1.1]pentanyl)silane
CID 154717529
1-phenyl-N-propan-2-ylcyclohexan-1-amine;hydrochloride
CID 53299308

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-N-[1-(3-phenyl-1-bicyclo[1.1.1]pentanyl)ethenyl]butan-2-amine?
The IUPAC name of (2R)-3-methyl-N-[1-(3-phenyl-1-bicyclo[1.1.1]pentanyl)ethenyl]butan-2-amine (CID 164977836) is (2R)-3-methyl-N-[1-(3-phenyl-1-bicyclo[1.1.1]pentanyl)ethenyl]butan-2-amine.
What is the SMILES notation for (2R)-3-methyl-N-[1-(3-phenyl-1-bicyclo[1.1.1]pentanyl)ethenyl]butan-2-amine?
The canonical SMILES for (2R)-3-methyl-N-[1-(3-phenyl-1-bicyclo[1.1.1]pentanyl)ethenyl]butan-2-amine is C=C(N[C@H](C)C(C)C)C12CC(c3ccccc3)(C1)C2.
What is the InChIKey of (2R)-3-methyl-N-[1-(3-phenyl-1-bicyclo[1.1.1]pentanyl)ethenyl]butan-2-amine?
The InChIKey is AHMOQVSWPGPYBV-RWBZWWBESA-N. The full InChI is InChI=1S/C18H25N/c1-13(2)14(3)19-15(4)17-10-18(11-17,12-17)16-8-6-5-7-9-16/h5-9,13-14,19H,4,10-12H2,1-3H3/t14-,17?,18?/m1/s1.
What are the key properties of (2R)-3-methyl-N-[1-(3-phenyl-1-bicyclo[1.1.1]pentanyl)ethenyl]butan-2-amine?
(2R)-3-methyl-N-[1-(3-phenyl-1-bicyclo[1.1.1]pentanyl)ethenyl]butan-2-amine has a molecular weight of 255.41 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-N-[1-(3-phenyl-1-bicyclo[1.1.1]pentanyl)ethenyl]butan-2-amine is sourced from PubChem (CID 164977836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).