N-[(2-hex-1-ynylphenyl)methyl]-2-methylpropan-2-amine

C17H25N — CID 11322492

IUPACN-[(2-hex-1-ynylphenyl)methyl]-2-methylpropan-2-amine
SMILESCCCCC#Cc1ccccc1CNC(C)(C)C
InChIInChI=1S/C17H25N/c1-5-6-7-8-11-15-12-9-10-13-16(15)14-18-17(2,3)4/h9-10,12-13,18H,5-7,14H2,1-4H3
InChIKeyICRRCOPLNCOVAO-UHFFFAOYSA-N
MW243.39 g/mol
LogP4.12
Rot. Bonds4

About N-[(2-hex-1-ynylphenyl)methyl]-2-methylpropan-2-amine

N-[(2-hex-1-ynylphenyl)methyl]-2-methylpropan-2-amine (PubChem CID 11322492) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is N-[(2-hex-1-ynylphenyl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(2-hex-1-ynylphenyl)methyl]-2-methylpropan-2-amine
PubChem CID11322492
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC NameN-[(2-hex-1-ynylphenyl)methyl]-2-methylpropan-2-amine
SMILESCCCCC#Cc1ccccc1CNC(C)(C)C
InChIInChI=1S/C17H25N/c1-5-6-7-8-11-15-12-9-10-13-16(15)14-18-17(2,3)4/h9-10,12-13,18H,5-7,14H2,1-4H3
InChIKeyICRRCOPLNCOVAO-UHFFFAOYSA-N
XLogP4.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-hex-1-ynyl-2-(phenylselanylmethyl)benzene
CID 102047618
N-[(2-pent-1-ynylphenyl)methyl]aniline
CID 101378600
1,2-bis(oct-1-ynyl)benzene
CID 11087701
(2-hex-1-ynylphenyl)-trimethylsilane
CID 139650960
1-hex-1-ynylnaphthalene
CID 11769709
N-[(2-heptoxyphenyl)methyl]-2-methylpropan-2-amine
CID 54847955
4-(2-oct-1-ynylphenyl)but-1-yn-1-ol
CID 70446792
N-[[2-[(dipropylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62425451
3-(2-dodec-1-ynylphenyl)propanoic acid
CID 151187733
N-(2-oct-1-ynylphenyl)acetamide
CID 11658791
1-fluoro-2-tridec-1-ynylbenzene
CID 162401723
2-[2-(2-hept-1-ynylphenyl)ethynyl]benzonitrile
CID 11077353

Frequently Asked Questions

What is the IUPAC name of N-[(2-hex-1-ynylphenyl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(2-hex-1-ynylphenyl)methyl]-2-methylpropan-2-amine (CID 11322492) is N-[(2-hex-1-ynylphenyl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(2-hex-1-ynylphenyl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(2-hex-1-ynylphenyl)methyl]-2-methylpropan-2-amine is CCCCC#Cc1ccccc1CNC(C)(C)C.
What is the InChIKey of N-[(2-hex-1-ynylphenyl)methyl]-2-methylpropan-2-amine?
The InChIKey is ICRRCOPLNCOVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-5-6-7-8-11-15-12-9-10-13-16(15)14-18-17(2,3)4/h9-10,12-13,18H,5-7,14H2,1-4H3.
What are the key properties of N-[(2-hex-1-ynylphenyl)methyl]-2-methylpropan-2-amine?
N-[(2-hex-1-ynylphenyl)methyl]-2-methylpropan-2-amine has a molecular weight of 243.39 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hex-1-ynylphenyl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 11322492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).