N-benzyl-N,2,2-trimethylbut-3-en-1-amine

C14H21N — CID 101149207

IUPACN-benzyl-N,2,2-trimethylbut-3-en-1-amine
SMILESC=CC(C)(C)CN(C)Cc1ccccc1
InChIInChI=1S/C14H21N/c1-5-14(2,3)12-15(4)11-13-9-7-6-8-10-13/h5-10H,1,11-12H2,2-4H3
InChIKeyGBYZXCUEFINHGP-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.33
Rot. Bonds5

About N-benzyl-N,2,2-trimethylbut-3-en-1-amine

N-benzyl-N,2,2-trimethylbut-3-en-1-amine (PubChem CID 101149207) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is N-benzyl-N,2,2-trimethylbut-3-en-1-amine.

Molecular Properties

Compound NameN-benzyl-N,2,2-trimethylbut-3-en-1-amine
PubChem CID101149207
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC NameN-benzyl-N,2,2-trimethylbut-3-en-1-amine
SMILESC=CC(C)(C)CN(C)Cc1ccccc1
InChIInChI=1S/C14H21N/c1-5-14(2,3)12-15(4)11-13-9-7-6-8-10-13/h5-10H,1,11-12H2,2-4H3
InChIKeyGBYZXCUEFINHGP-UHFFFAOYSA-N
XLogP3.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[benzyl(methyl)amino]-2,2-dimethylpropan-1-ol
CID 13422168
N'-benzyl-N',2,2-trimethylpropane-1,3-diamine
CID 62262842
N-benzyl-3-bromo-N,2,2-trimethylpropan-1-amine
CID 65000908
N'-benzyl-N',2,2-trimethylpropane-1,3-diamine;hydrochloride
CID 119928986
N-benzyl-N-methylbut-3-en-1-amine
CID 10702410
N'-benzyl-N',2-dimethyl-2-phenylpropane-1,3-diamine
CID 62263027
1-[benzyl(methyl)amino]-3-[2,2-dimethylpropyl(methyl)amino]propan-2-ol
CID 110929932
N-[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]propanamide
CID 75388511
1-[benzyl(methyl)amino]-2-thiophen-2-ylpropan-2-ol
CID 10659099
N-benzyl-N'-tert-butyl-2-ethyl-N,2-dimethylpropane-1,3-diamine
CID 62262100
3-[(4-chlorophenyl)methyl-methylamino]-2,2-dimethylpropanal
CID 62278141
N-methyl-N-[(4-phenylphenyl)methyl]prop-2-en-1-amine
CID 57106093

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N,2,2-trimethylbut-3-en-1-amine?
The IUPAC name of N-benzyl-N,2,2-trimethylbut-3-en-1-amine (CID 101149207) is N-benzyl-N,2,2-trimethylbut-3-en-1-amine.
What is the SMILES notation for N-benzyl-N,2,2-trimethylbut-3-en-1-amine?
The canonical SMILES for N-benzyl-N,2,2-trimethylbut-3-en-1-amine is C=CC(C)(C)CN(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-N,2,2-trimethylbut-3-en-1-amine?
The InChIKey is GBYZXCUEFINHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-5-14(2,3)12-15(4)11-13-9-7-6-8-10-13/h5-10H,1,11-12H2,2-4H3.
What are the key properties of N-benzyl-N,2,2-trimethylbut-3-en-1-amine?
N-benzyl-N,2,2-trimethylbut-3-en-1-amine has a molecular weight of 203.33 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,2,2-trimethylbut-3-en-1-amine is sourced from PubChem (CID 101149207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).