N-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-N',N'-diethylethane-1,2-diamine

C17H29N3 — CID 65383772

IUPACN-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNC1(CN)CCCc2ccccc21
InChIInChI=1S/C17H29N3/c1-3-20(4-2)13-12-19-17(14-18)11-7-9-15-8-5-6-10-16(15)17/h5-6,8,10,19H,3-4,7,9,11-14,18H2,1-2H3
InChIKeyMRWHBMSPPCYFIA-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.11
Rot. Bonds7

About N-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-N',N'-diethylethane-1,2-diamine

N-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-N',N'-diethylethane-1,2-diamine (PubChem CID 65383772) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-N',N'-diethylethane-1,2-diamine
PubChem CID65383772
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNC1(CN)CCCc2ccccc21
InChIInChI=1S/C17H29N3/c1-3-20(4-2)13-12-19-17(14-18)11-7-9-15-8-5-6-10-16(15)17/h5-6,8,10,19H,3-4,7,9,11-14,18H2,1-2H3
InChIKeyMRWHBMSPPCYFIA-UHFFFAOYSA-N
XLogP2.11
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[2-(diethylamino)ethylamino]-2,3-dihydroinden-1-yl]methanol
CID 61049623
1-[2-(diethylamino)ethylamino]-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 60993938
[1-(methylamino)-3,4-dihydro-2H-naphthalen-1-yl]methanol
CID 61054317
[(1R)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methanamine
CID 94565802
1-(aminomethyl)-N-ethyl-N-propan-2-yl-3,4-dihydro-2H-naphthalen-1-amine
CID 43265604
3-[1-(aminomethyl)-3,4-dihydroisochromen-1-yl]-N,N-diethylpropan-1-amine;dihydrochloride
CID 52997744
ethyl 2-[1-(ethylamino)-3,4-dihydro-2H-naphthalen-1-yl]acetate
CID 65234108
1-(aminomethyl)-7-methoxy-N-(2-methoxyethyl)-3,4-dihydro-2H-naphthalen-1-amine
CID 79247744
1-(aminomethyl)-N-(cyclopropylmethyl)-N-propyl-3,4-dihydro-2H-naphthalen-1-amine
CID 60710061
2-[2-(diethylamino)ethylamino]-1,3-dihydroindene-2-carboxamide
CID 61005096
[1-(phenylmethoxymethyl)-3,4-dihydro-2H-naphthalen-1-yl]methanamine
CID 102940470
1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 12914859

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-N',N'-diethylethane-1,2-diamine?
The IUPAC name of N-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-N',N'-diethylethane-1,2-diamine (CID 65383772) is N-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for N-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for N-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-N',N'-diethylethane-1,2-diamine is CCN(CC)CCNC1(CN)CCCc2ccccc21.
What is the InChIKey of N-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-N',N'-diethylethane-1,2-diamine?
The InChIKey is MRWHBMSPPCYFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-3-20(4-2)13-12-19-17(14-18)11-7-9-15-8-5-6-10-16(15)17/h5-6,8,10,19H,3-4,7,9,11-14,18H2,1-2H3.
What are the key properties of N-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-N',N'-diethylethane-1,2-diamine?
N-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-N',N'-diethylethane-1,2-diamine has a molecular weight of 275.44 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-N',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 65383772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).