N,4,4-trimethyl-N-(naphthalen-1-ylmethyl)pent-2-yn-1-amine

C19H23N — CID 10333105

IUPACN,4,4-trimethyl-N-(naphthalen-1-ylmethyl)pent-2-yn-1-amine
SMILESCN(CC#CC(C)(C)C)Cc1cccc2ccccc12
InChIInChI=1S/C19H23N/c1-19(2,3)13-8-14-20(4)15-17-11-7-10-16-9-5-6-12-18(16)17/h5-7,9-12H,14-15H2,1-4H3
InChIKeyHSTDGKYYANYYFG-UHFFFAOYSA-N
MW265.40 g/mol
LogP4.32
Rot. Bonds3

About N,4,4-trimethyl-N-(naphthalen-1-ylmethyl)pent-2-yn-1-amine

N,4,4-trimethyl-N-(naphthalen-1-ylmethyl)pent-2-yn-1-amine (PubChem CID 10333105) has the molecular formula C19H23N and a molecular weight of 265.40 g/mol. Its IUPAC name is N,4,4-trimethyl-N-(naphthalen-1-ylmethyl)pent-2-yn-1-amine.

Molecular Properties

Compound NameN,4,4-trimethyl-N-(naphthalen-1-ylmethyl)pent-2-yn-1-amine
PubChem CID10333105
Molecular FormulaC19H23N
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC NameN,4,4-trimethyl-N-(naphthalen-1-ylmethyl)pent-2-yn-1-amine
SMILESCN(CC#CC(C)(C)C)Cc1cccc2ccccc12
InChIInChI=1S/C19H23N/c1-19(2,3)13-8-14-20(4)15-17-11-7-10-16-9-5-6-12-18(16)17/h5-7,9-12H,14-15H2,1-4H3
InChIKeyHSTDGKYYANYYFG-UHFFFAOYSA-N
XLogP4.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,4,4-trimethyl-N-(naphthalen-1-ylmethyl)pent-2-yn-1-amine?
The IUPAC name of N,4,4-trimethyl-N-(naphthalen-1-ylmethyl)pent-2-yn-1-amine (CID 10333105) is N,4,4-trimethyl-N-(naphthalen-1-ylmethyl)pent-2-yn-1-amine.
What is the SMILES notation for N,4,4-trimethyl-N-(naphthalen-1-ylmethyl)pent-2-yn-1-amine?
The canonical SMILES for N,4,4-trimethyl-N-(naphthalen-1-ylmethyl)pent-2-yn-1-amine is CN(CC#CC(C)(C)C)Cc1cccc2ccccc12.
What is the InChIKey of N,4,4-trimethyl-N-(naphthalen-1-ylmethyl)pent-2-yn-1-amine?
The InChIKey is HSTDGKYYANYYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N/c1-19(2,3)13-8-14-20(4)15-17-11-7-10-16-9-5-6-12-18(16)17/h5-7,9-12H,14-15H2,1-4H3.
What are the key properties of N,4,4-trimethyl-N-(naphthalen-1-ylmethyl)pent-2-yn-1-amine?
N,4,4-trimethyl-N-(naphthalen-1-ylmethyl)pent-2-yn-1-amine has a molecular weight of 265.40 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,4-trimethyl-N-(naphthalen-1-ylmethyl)pent-2-yn-1-amine is sourced from PubChem (CID 10333105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).