N'-ethyl-N'-naphthalen-1-yl-N-prop-2-ynylethane-1,2-diamine

C17H20N2 — CID 55085520

IUPACN'-ethyl-N'-naphthalen-1-yl-N-prop-2-ynylethane-1,2-diamine
SMILESC#CCNCCN(CC)c1cccc2ccccc12
InChIInChI=1S/C17H20N2/c1-3-12-18-13-14-19(4-2)17-11-7-9-15-8-5-6-10-16(15)17/h1,5-11,18H,4,12-14H2,2H3
InChIKeyVBELVOBJXCNVFH-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.89
Rot. Bonds6

About N'-ethyl-N'-naphthalen-1-yl-N-prop-2-ynylethane-1,2-diamine

N'-ethyl-N'-naphthalen-1-yl-N-prop-2-ynylethane-1,2-diamine (PubChem CID 55085520) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N'-ethyl-N'-naphthalen-1-yl-N-prop-2-ynylethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-naphthalen-1-yl-N-prop-2-ynylethane-1,2-diamine
PubChem CID55085520
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC NameN'-ethyl-N'-naphthalen-1-yl-N-prop-2-ynylethane-1,2-diamine
SMILESC#CCNCCN(CC)c1cccc2ccccc12
InChIInChI=1S/C17H20N2/c1-3-12-18-13-14-19(4-2)17-11-7-9-15-8-5-6-10-16(15)17/h1,5-11,18H,4,12-14H2,2H3
InChIKeyVBELVOBJXCNVFH-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

N'-ethyl-N-(2-methoxyethyl)-N'-naphthalen-1-ylethane-1,2-diamine
CID 62574394
N,N,N'-triethyl-N'-naphthalen-1-ylethane-1,2-diamine
CID 3028375
N'-ethyl-N-(2-methylpropyl)-N'-naphthalen-1-ylpropane-1,3-diamine
CID 63467286
N'-ethyl-N'-naphthalen-1-yl-N-propan-2-ylbutane-1,4-diamine
CID 60851673
N-(2-azidoethyl)-N-ethylnaphthalen-1-amine
CID 63462242
6-[ethyl(naphthalen-1-yl)amino]hexan-3-one
CID 106801134
1-ethyl-1-naphthalen-1-ylhydrazine
CID 55252593
(2S)-1-[ethyl(naphthalen-1-yl)amino]propan-2-ol
CID 103934919
N'-ethyl-N'-(2-methylphenyl)-N-propylethane-1,2-diamine
CID 61386867
N-[2-(1,3-dioxan-2-yl)ethyl]-N-ethylnaphthalen-1-amine
CID 66473711
1-N-ethyl-1-N-naphthalen-1-ylbutane-1,2-diamine
CID 43649715
1-[ethyl(naphthalen-1-yl)amino]-3-(methylamino)propan-2-ol
CID 43187919

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-naphthalen-1-yl-N-prop-2-ynylethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-naphthalen-1-yl-N-prop-2-ynylethane-1,2-diamine (CID 55085520) is N'-ethyl-N'-naphthalen-1-yl-N-prop-2-ynylethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-naphthalen-1-yl-N-prop-2-ynylethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-naphthalen-1-yl-N-prop-2-ynylethane-1,2-diamine is C#CCNCCN(CC)c1cccc2ccccc12.
What is the InChIKey of N'-ethyl-N'-naphthalen-1-yl-N-prop-2-ynylethane-1,2-diamine?
The InChIKey is VBELVOBJXCNVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-3-12-18-13-14-19(4-2)17-11-7-9-15-8-5-6-10-16(15)17/h1,5-11,18H,4,12-14H2,2H3.
What are the key properties of N'-ethyl-N'-naphthalen-1-yl-N-prop-2-ynylethane-1,2-diamine?
N'-ethyl-N'-naphthalen-1-yl-N-prop-2-ynylethane-1,2-diamine has a molecular weight of 252.36 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-naphthalen-1-yl-N-prop-2-ynylethane-1,2-diamine is sourced from PubChem (CID 55085520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).