N-benzyl-N-methylprop-2-yn-1-amine;2-methyl-3-phenylbutan-2-amine

C22H30N2 — CID 87216453

IUPACN-benzyl-N-methylprop-2-yn-1-amine;2-methyl-3-phenylbutan-2-amine
SMILESC#CCN(C)Cc1ccccc1.CC(c1ccccc1)C(C)(C)N
InChIInChI=1S/C11H17N.C11H13N/c1-9(11(2,3)12)10-7-5-4-6-8-10;1-3-9-12(2)10-11-7-5-4-6-8-11/h4-9H,12H2,1-3H3;1,4-8H,9-10H2,2H3
InChIKeyHRYYZHDCLODMPY-UHFFFAOYSA-N
MW322.50 g/mol
LogP4.28
Rot. Bonds5

About N-benzyl-N-methylprop-2-yn-1-amine;2-methyl-3-phenylbutan-2-amine

N-benzyl-N-methylprop-2-yn-1-amine;2-methyl-3-phenylbutan-2-amine (PubChem CID 87216453) has the molecular formula C22H30N2 and a molecular weight of 322.50 g/mol. Its IUPAC name is N-benzyl-N-methylprop-2-yn-1-amine;2-methyl-3-phenylbutan-2-amine.

Molecular Properties

Compound NameN-benzyl-N-methylprop-2-yn-1-amine;2-methyl-3-phenylbutan-2-amine
PubChem CID87216453
Molecular FormulaC22H30N2
Molecular Weight322.50 g/mol
Exact Mass322.24
IUPAC NameN-benzyl-N-methylprop-2-yn-1-amine;2-methyl-3-phenylbutan-2-amine
SMILESC#CCN(C)Cc1ccccc1.CC(c1ccccc1)C(C)(C)N
InChIInChI=1S/C11H17N.C11H13N/c1-9(11(2,3)12)10-7-5-4-6-8-10;1-3-9-12(2)10-11-7-5-4-6-8-11/h4-9H,12H2,1-3H3;1,4-8H,9-10H2,2H3
InChIKeyHRYYZHDCLODMPY-UHFFFAOYSA-N
XLogP4.28
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[[methyl(prop-2-ynyl)amino]methyl]benzoic acid
CID 167716180
2-[4-[[methyl(prop-2-ynyl)amino]methyl]phenyl]-N-propan-2-ylpropan-1-amine
CID 105348064
N-methyl-N-(2-phenylethyl)prop-2-yn-1-amine
CID 10012396
2-amino-1-[benzyl(methyl)amino]hex-5-yn-3-one
CID 165464916
N'-benzyl-N',2,2-trimethylpropane-1,3-diamine
CID 62262842
(1S)-N,N'-dibenzyl-N,N'-dimethyl-1-phenylbut-2-yne-1,4-diamine
CID 155934629
(2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine
CID 87223086
N'-benzyl-N',2,2-trimethylpropane-1,3-diamine;hydrochloride
CID 119928986
(3R)-N-benzyl-N-methyl-3-phenylbutan-1-amine;hydrate
CID 66524871
(2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine chloride
CID 45114220
2-amino-3-phenylbutan-2-ol
CID 68615274
(1S)-N-benzyl-N-methyl-1-phenylethanamine
CID 122522292

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methylprop-2-yn-1-amine;2-methyl-3-phenylbutan-2-amine?
The IUPAC name of N-benzyl-N-methylprop-2-yn-1-amine;2-methyl-3-phenylbutan-2-amine (CID 87216453) is N-benzyl-N-methylprop-2-yn-1-amine;2-methyl-3-phenylbutan-2-amine.
What is the SMILES notation for N-benzyl-N-methylprop-2-yn-1-amine;2-methyl-3-phenylbutan-2-amine?
The canonical SMILES for N-benzyl-N-methylprop-2-yn-1-amine;2-methyl-3-phenylbutan-2-amine is C#CCN(C)Cc1ccccc1.CC(c1ccccc1)C(C)(C)N.
What is the InChIKey of N-benzyl-N-methylprop-2-yn-1-amine;2-methyl-3-phenylbutan-2-amine?
The InChIKey is HRYYZHDCLODMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N.C11H13N/c1-9(11(2,3)12)10-7-5-4-6-8-10;1-3-9-12(2)10-11-7-5-4-6-8-11/h4-9H,12H2,1-3H3;1,4-8H,9-10H2,2H3.
What are the key properties of N-benzyl-N-methylprop-2-yn-1-amine;2-methyl-3-phenylbutan-2-amine?
N-benzyl-N-methylprop-2-yn-1-amine;2-methyl-3-phenylbutan-2-amine has a molecular weight of 322.50 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methylprop-2-yn-1-amine;2-methyl-3-phenylbutan-2-amine is sourced from PubChem (CID 87216453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).