2-methylidene-N-[(1R)-1-(3-methylphenyl)ethyl]butan-1-amine

C14H21N — CID 81361301

IUPAC2-methylidene-N-[(1R)-1-(3-methylphenyl)ethyl]butan-1-amine
SMILESC=C(CC)CN[C@H](C)c1cccc(C)c1
InChIInChI=1S/C14H21N/c1-5-11(2)10-15-13(4)14-8-6-7-12(3)9-14/h6-9,13,15H,2,5,10H2,1,3-4H3/t13-/m1/s1
InChIKeyYLUJXQIUBBGXSS-CYBMUJFWSA-N
MW203.33 g/mol
LogP3.61
Rot. Bonds5

About 2-methylidene-N-[(1R)-1-(3-methylphenyl)ethyl]butan-1-amine

2-methylidene-N-[(1R)-1-(3-methylphenyl)ethyl]butan-1-amine (PubChem CID 81361301) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 2-methylidene-N-[(1R)-1-(3-methylphenyl)ethyl]butan-1-amine.

Molecular Properties

Compound Name2-methylidene-N-[(1R)-1-(3-methylphenyl)ethyl]butan-1-amine
PubChem CID81361301
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name2-methylidene-N-[(1R)-1-(3-methylphenyl)ethyl]butan-1-amine
SMILESC=C(CC)CN[C@H](C)c1cccc(C)c1
InChIInChI=1S/C14H21N/c1-5-11(2)10-15-13(4)14-8-6-7-12(3)9-14/h6-9,13,15H,2,5,10H2,1,3-4H3/t13-/m1/s1
InChIKeyYLUJXQIUBBGXSS-CYBMUJFWSA-N
XLogP3.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]acetamide
CID 81361311
(2R)-1-[[(1R)-1-(3-methylphenyl)ethyl]amino]propan-2-ol
CID 93288092
(1R)-N-[(4-ethylphenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81364360
(1S)-N-[(4-ethylphenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81361545
[1-(3-methylphenyl)ethylamino]methanolate
CID 163854725
N-cycloheptyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]acetamide
CID 81367500
2-methylidene-N-(1-pyridin-3-ylethyl)butan-1-amine
CID 66047112
N-(4-methylphenyl)-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]acetamide
CID 81367523
N-methyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]-N-propan-2-ylacetamide
CID 81360695
2-[[(1R)-1-(3-methylphenyl)ethyl]amino]-N-(oxan-4-yl)acetamide
CID 81361124
(1R)-1-(3-methylphenyl)-N-(2-propoxyethyl)ethanamine
CID 106452285
(E)-3-methyl-4-[[(1S)-1-(3-methylphenyl)ethyl]amino]but-2-enoic acid
CID 103258616

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-N-[(1R)-1-(3-methylphenyl)ethyl]butan-1-amine?
The IUPAC name of 2-methylidene-N-[(1R)-1-(3-methylphenyl)ethyl]butan-1-amine (CID 81361301) is 2-methylidene-N-[(1R)-1-(3-methylphenyl)ethyl]butan-1-amine.
What is the SMILES notation for 2-methylidene-N-[(1R)-1-(3-methylphenyl)ethyl]butan-1-amine?
The canonical SMILES for 2-methylidene-N-[(1R)-1-(3-methylphenyl)ethyl]butan-1-amine is C=C(CC)CN[C@H](C)c1cccc(C)c1.
What is the InChIKey of 2-methylidene-N-[(1R)-1-(3-methylphenyl)ethyl]butan-1-amine?
The InChIKey is YLUJXQIUBBGXSS-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H21N/c1-5-11(2)10-15-13(4)14-8-6-7-12(3)9-14/h6-9,13,15H,2,5,10H2,1,3-4H3/t13-/m1/s1.
What are the key properties of 2-methylidene-N-[(1R)-1-(3-methylphenyl)ethyl]butan-1-amine?
2-methylidene-N-[(1R)-1-(3-methylphenyl)ethyl]butan-1-amine has a molecular weight of 203.33 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-N-[(1R)-1-(3-methylphenyl)ethyl]butan-1-amine is sourced from PubChem (CID 81361301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).