N,4-dimethyl-N-[(4-propan-2-ylphenyl)methyl]pent-2-yn-1-amine

C17H25N — CID 171598906

IUPACN,4-dimethyl-N-[(4-propan-2-ylphenyl)methyl]pent-2-yn-1-amine
SMILESCC(C)C#CCN(C)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C17H25N/c1-14(2)7-6-12-18(5)13-16-8-10-17(11-9-16)15(3)4/h8-11,14-15H,12-13H2,1-5H3
InChIKeyGZNOSZOIJYIGFL-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.90
Rot. Bonds4

About N,4-dimethyl-N-[(4-propan-2-ylphenyl)methyl]pent-2-yn-1-amine

N,4-dimethyl-N-[(4-propan-2-ylphenyl)methyl]pent-2-yn-1-amine (PubChem CID 171598906) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is N,4-dimethyl-N-[(4-propan-2-ylphenyl)methyl]pent-2-yn-1-amine.

Molecular Properties

Compound NameN,4-dimethyl-N-[(4-propan-2-ylphenyl)methyl]pent-2-yn-1-amine
PubChem CID171598906
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC NameN,4-dimethyl-N-[(4-propan-2-ylphenyl)methyl]pent-2-yn-1-amine
SMILESCC(C)C#CCN(C)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C17H25N/c1-14(2)7-6-12-18(5)13-16-8-10-17(11-9-16)15(3)4/h8-11,14-15H,12-13H2,1-5H3
InChIKeyGZNOSZOIJYIGFL-UHFFFAOYSA-N
XLogP3.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[4-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]phenyl]methanamine
CID 60921319
3-[methyl-[(4-propan-2-ylphenyl)methyl]amino]propanenitrile
CID 43084546
3-chloro-N-methyl-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 115215689
(1S)-N,N'-dibenzyl-N,N'-dimethyl-1-phenylbut-2-yne-1,4-diamine
CID 155934629
1-amino-3-[methyl-[(4-propan-2-ylphenyl)methyl]amino]propan-2-ol
CID 115121461
N-methyl-N-[(4-propan-2-ylphenyl)methyl]acetamide
CID 60631160
N-(1-adamantylmethyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 122548330
2-[4-[[methyl(prop-2-ynyl)amino]methyl]phenyl]-N-propan-2-ylpropan-1-amine
CID 105348064
N-methyl-1-(4-propan-2-ylphenyl)-N-(pyrazin-2-ylmethyl)methanamine
CID 74239331
N'-benzyl-N'-methyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 43420040
3-[methyl-[(4-propan-2-ylphenyl)methyl]amino]butanoic acid
CID 117042175
2-N-methyl-2-N-[(4-propan-2-ylphenyl)methyl]propane-1,2-diamine;hydrochloride
CID 119924728

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[(4-propan-2-ylphenyl)methyl]pent-2-yn-1-amine?
The IUPAC name of N,4-dimethyl-N-[(4-propan-2-ylphenyl)methyl]pent-2-yn-1-amine (CID 171598906) is N,4-dimethyl-N-[(4-propan-2-ylphenyl)methyl]pent-2-yn-1-amine.
What is the SMILES notation for N,4-dimethyl-N-[(4-propan-2-ylphenyl)methyl]pent-2-yn-1-amine?
The canonical SMILES for N,4-dimethyl-N-[(4-propan-2-ylphenyl)methyl]pent-2-yn-1-amine is CC(C)C#CCN(C)Cc1ccc(C(C)C)cc1.
What is the InChIKey of N,4-dimethyl-N-[(4-propan-2-ylphenyl)methyl]pent-2-yn-1-amine?
The InChIKey is GZNOSZOIJYIGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-14(2)7-6-12-18(5)13-16-8-10-17(11-9-16)15(3)4/h8-11,14-15H,12-13H2,1-5H3.
What are the key properties of N,4-dimethyl-N-[(4-propan-2-ylphenyl)methyl]pent-2-yn-1-amine?
N,4-dimethyl-N-[(4-propan-2-ylphenyl)methyl]pent-2-yn-1-amine has a molecular weight of 243.39 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[(4-propan-2-ylphenyl)methyl]pent-2-yn-1-amine is sourced from PubChem (CID 171598906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).