(E,3R)-2-methyl-6-phenyl-N-propan-2-ylhex-5-en-3-amine

C16H25N — CID 59058683

IUPAC(E,3R)-2-methyl-6-phenyl-N-propan-2-ylhex-5-en-3-amine
SMILESCC(C)N[C@H](C/C=C/c1ccccc1)C(C)C
InChIInChI=1S/C16H25N/c1-13(2)16(17-14(3)4)12-8-11-15-9-6-5-7-10-15/h5-11,13-14,16-17H,12H2,1-4H3/b11-8+/t16-/m1/s1
InChIKeySRDPAASTVGFRDG-YCABEKBOSA-N
MW231.38 g/mol
LogP4.11
Rot. Bonds6

About (E,3R)-2-methyl-6-phenyl-N-propan-2-ylhex-5-en-3-amine

(E,3R)-2-methyl-6-phenyl-N-propan-2-ylhex-5-en-3-amine (PubChem CID 59058683) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is (E,3R)-2-methyl-6-phenyl-N-propan-2-ylhex-5-en-3-amine.

Molecular Properties

Compound Name(E,3R)-2-methyl-6-phenyl-N-propan-2-ylhex-5-en-3-amine
PubChem CID59058683
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name(E,3R)-2-methyl-6-phenyl-N-propan-2-ylhex-5-en-3-amine
SMILESCC(C)N[C@H](C/C=C/c1ccccc1)C(C)C
InChIInChI=1S/C16H25N/c1-13(2)16(17-14(3)4)12-8-11-15-9-6-5-7-10-15/h5-11,13-14,16-17H,12H2,1-4H3/b11-8+/t16-/m1/s1
InChIKeySRDPAASTVGFRDG-YCABEKBOSA-N
XLogP4.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 66808272
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3-phenyl-N-propan-2-ylprop-2-en-1-amine
CID 54218883
N-methyl-1,4-diphenylbut-3-en-1-amine
CID 54080999
1-N,1-N,3-trimethyl-2-N-(3-phenylprop-2-enyl)butane-1,2-diamine
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1-methoxy-3-methyl-N-(3-phenylprop-2-enyl)butan-2-amine
CID 77055971
4,5-dimethylhepta-1,5-dienylbenzene
CID 123392853
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
(2S)-1-diphenylphosphanyl-3-methyl-N-propan-2-ylbutan-2-amine
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benzene;but-1-enylbenzene
CID 157481332
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CID 158977605

Frequently Asked Questions

What is the IUPAC name of (E,3R)-2-methyl-6-phenyl-N-propan-2-ylhex-5-en-3-amine?
The IUPAC name of (E,3R)-2-methyl-6-phenyl-N-propan-2-ylhex-5-en-3-amine (CID 59058683) is (E,3R)-2-methyl-6-phenyl-N-propan-2-ylhex-5-en-3-amine.
What is the SMILES notation for (E,3R)-2-methyl-6-phenyl-N-propan-2-ylhex-5-en-3-amine?
The canonical SMILES for (E,3R)-2-methyl-6-phenyl-N-propan-2-ylhex-5-en-3-amine is CC(C)N[C@H](C/C=C/c1ccccc1)C(C)C.
What is the InChIKey of (E,3R)-2-methyl-6-phenyl-N-propan-2-ylhex-5-en-3-amine?
The InChIKey is SRDPAASTVGFRDG-YCABEKBOSA-N. The full InChI is InChI=1S/C16H25N/c1-13(2)16(17-14(3)4)12-8-11-15-9-6-5-7-10-15/h5-11,13-14,16-17H,12H2,1-4H3/b11-8+/t16-/m1/s1.
What are the key properties of (E,3R)-2-methyl-6-phenyl-N-propan-2-ylhex-5-en-3-amine?
(E,3R)-2-methyl-6-phenyl-N-propan-2-ylhex-5-en-3-amine has a molecular weight of 231.38 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3R)-2-methyl-6-phenyl-N-propan-2-ylhex-5-en-3-amine is sourced from PubChem (CID 59058683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).