N-ethyl-1-naphthalen-1-ylhept-6-yn-2-amine

C19H23N — CID 105179696

IUPACN-ethyl-1-naphthalen-1-ylhept-6-yn-2-amine
SMILESC#CCCCC(Cc1cccc2ccccc12)NCC
InChIInChI=1S/C19H23N/c1-3-5-6-13-18(20-4-2)15-17-12-9-11-16-10-7-8-14-19(16)17/h1,7-12,14,18,20H,4-6,13,15H2,2H3
InChIKeyKZQLNVORJNSWGW-UHFFFAOYSA-N
MW265.40 g/mol
LogP4.16
Rot. Bonds7

About N-ethyl-1-naphthalen-1-ylhept-6-yn-2-amine

N-ethyl-1-naphthalen-1-ylhept-6-yn-2-amine (PubChem CID 105179696) has the molecular formula C19H23N and a molecular weight of 265.40 g/mol. Its IUPAC name is N-ethyl-1-naphthalen-1-ylhept-6-yn-2-amine.

Molecular Properties

Compound NameN-ethyl-1-naphthalen-1-ylhept-6-yn-2-amine
PubChem CID105179696
Molecular FormulaC19H23N
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC NameN-ethyl-1-naphthalen-1-ylhept-6-yn-2-amine
SMILESC#CCCCC(Cc1cccc2ccccc12)NCC
InChIInChI=1S/C19H23N/c1-3-5-6-13-18(20-4-2)15-17-12-9-11-16-10-7-8-14-19(16)17/h1,7-12,14,18,20H,4-6,13,15H2,2H3
InChIKeyKZQLNVORJNSWGW-UHFFFAOYSA-N
XLogP4.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 54.16
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-(2-chlorophenyl)-N-ethylhex-5-yn-2-amine
CID 63655696
N-ethyl-1-[(2-methylpropan-2-yl)oxy]-3-naphthalen-1-ylpropan-2-amine
CID 105130911
N-ethylheptadec-1-yn-6-amine
CID 105034079
N-(naphthalen-1-ylmethyl)octan-4-amine
CID 106023258
N-ethyl-1-(2-methylphenyl)decan-2-amine
CID 63417244
1-(2,3-difluorophenyl)hept-6-yn-2-ylhydrazine
CID 105333380
1-(3-chloro-2-fluorophenyl)-N-ethylheptan-2-amine
CID 82806799
N-ethyl-1-(2-fluorophenyl)undecan-2-amine
CID 63416880
1-(4-chlorophenyl)sulfanyl-N-ethylhept-6-yn-2-amine
CID 113374341
2-(naphthalen-1-ylmethyl)-N-propan-2-ylbutan-1-amine
CID 62531157
(5-methyl-1-naphthalen-1-ylhexan-2-yl)hydrazine
CID 105207634
N-ethyl-1-(2-iodophenyl)hex-5-yn-1-amine
CID 105033956

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-naphthalen-1-ylhept-6-yn-2-amine?
The IUPAC name of N-ethyl-1-naphthalen-1-ylhept-6-yn-2-amine (CID 105179696) is N-ethyl-1-naphthalen-1-ylhept-6-yn-2-amine.
What is the SMILES notation for N-ethyl-1-naphthalen-1-ylhept-6-yn-2-amine?
The canonical SMILES for N-ethyl-1-naphthalen-1-ylhept-6-yn-2-amine is C#CCCCC(Cc1cccc2ccccc12)NCC.
What is the InChIKey of N-ethyl-1-naphthalen-1-ylhept-6-yn-2-amine?
The InChIKey is KZQLNVORJNSWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N/c1-3-5-6-13-18(20-4-2)15-17-12-9-11-16-10-7-8-14-19(16)17/h1,7-12,14,18,20H,4-6,13,15H2,2H3.
What are the key properties of N-ethyl-1-naphthalen-1-ylhept-6-yn-2-amine?
N-ethyl-1-naphthalen-1-ylhept-6-yn-2-amine has a molecular weight of 265.40 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-naphthalen-1-ylhept-6-yn-2-amine is sourced from PubChem (CID 105179696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).