N,5,5-trimethyl-N-(naphthalen-1-ylmethyl)hept-3-yn-1-amine

C21H27N — CID 10040062

IUPACN,5,5-trimethyl-N-(naphthalen-1-ylmethyl)hept-3-yn-1-amine
SMILESCCC(C)(C)C#CCCN(C)Cc1cccc2ccccc12
InChIInChI=1S/C21H27N/c1-5-21(2,3)15-8-9-16-22(4)17-19-13-10-12-18-11-6-7-14-20(18)19/h6-7,10-14H,5,9,16-17H2,1-4H3
InChIKeyGDGJVBMMGNMSNV-UHFFFAOYSA-N
MW293.45 g/mol
LogP5.10
Rot. Bonds5

About N,5,5-trimethyl-N-(naphthalen-1-ylmethyl)hept-3-yn-1-amine

N,5,5-trimethyl-N-(naphthalen-1-ylmethyl)hept-3-yn-1-amine (PubChem CID 10040062) has the molecular formula C21H27N and a molecular weight of 293.45 g/mol. Its IUPAC name is N,5,5-trimethyl-N-(naphthalen-1-ylmethyl)hept-3-yn-1-amine.

Molecular Properties

Compound NameN,5,5-trimethyl-N-(naphthalen-1-ylmethyl)hept-3-yn-1-amine
PubChem CID10040062
Molecular FormulaC21H27N
Molecular Weight293.45 g/mol
Exact Mass293.21
IUPAC NameN,5,5-trimethyl-N-(naphthalen-1-ylmethyl)hept-3-yn-1-amine
SMILESCCC(C)(C)C#CCCN(C)Cc1cccc2ccccc12
InChIInChI=1S/C21H27N/c1-5-21(2,3)15-8-9-16-22(4)17-19-13-10-12-18-11-6-7-14-20(18)19/h6-7,10-14H,5,9,16-17H2,1-4H3
InChIKeyGDGJVBMMGNMSNV-UHFFFAOYSA-N
XLogP5.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.45
LogP ≤ 55.10
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

2-methyl-4-[methyl(naphthalen-1-ylmethyl)amino]butan-2-ol
CID 75423705
2-amino-3-[methyl(naphthalen-1-ylmethyl)amino]propanoic acid
CID 115240804
N,6,6-trimethyl-N-(naphthalen-1-ylmethyl)hept-2-en-4-yn-1-amine chloride
CID 71296891
azane;(E)-N,6,6-trimethyl-N-(naphthalen-1-ylmethyl)hept-2-en-4-yn-1-amine
CID 87544603
2-[[methyl(naphthalen-1-ylmethyl)amino]methyl]aniline
CID 43458604
sodium;1-ethylnaphthalene;hydride
CID 174300793
2-cyclohexyl-5-[methyl(naphthalen-1-ylmethyl)amino]pent-3-yn-2-ol
CID 19887936
N-cyclopropyl-N'-methyl-N'-(naphthalen-1-ylmethyl)ethane-1,2-diamine
CID 55002950
N-methanidyl-N-methyl-1-naphthalen-1-ylmethanamine
CID 20723537
1-chloro-N,2-dimethyl-N-(naphthalen-1-ylmethyl)propan-2-amine
CID 113476471
(Z)-but-2-enedioic acid;(E)-N,6,6-trimethyl-N-(naphthalen-1-ylmethyl)hept-2-en-4-yn-1-amine
CID 170161523
1-(4-butan-2-ylphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)methanamine
CID 19893363

Frequently Asked Questions

What is the IUPAC name of N,5,5-trimethyl-N-(naphthalen-1-ylmethyl)hept-3-yn-1-amine?
The IUPAC name of N,5,5-trimethyl-N-(naphthalen-1-ylmethyl)hept-3-yn-1-amine (CID 10040062) is N,5,5-trimethyl-N-(naphthalen-1-ylmethyl)hept-3-yn-1-amine.
What is the SMILES notation for N,5,5-trimethyl-N-(naphthalen-1-ylmethyl)hept-3-yn-1-amine?
The canonical SMILES for N,5,5-trimethyl-N-(naphthalen-1-ylmethyl)hept-3-yn-1-amine is CCC(C)(C)C#CCCN(C)Cc1cccc2ccccc12.
What is the InChIKey of N,5,5-trimethyl-N-(naphthalen-1-ylmethyl)hept-3-yn-1-amine?
The InChIKey is GDGJVBMMGNMSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N/c1-5-21(2,3)15-8-9-16-22(4)17-19-13-10-12-18-11-6-7-14-20(18)19/h6-7,10-14H,5,9,16-17H2,1-4H3.
What are the key properties of N,5,5-trimethyl-N-(naphthalen-1-ylmethyl)hept-3-yn-1-amine?
N,5,5-trimethyl-N-(naphthalen-1-ylmethyl)hept-3-yn-1-amine has a molecular weight of 293.45 g/mol, XLogP of 5.10, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,5,5-trimethyl-N-(naphthalen-1-ylmethyl)hept-3-yn-1-amine is sourced from PubChem (CID 10040062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).