2-N,2-N-diethyl-1-(2-methylprop-2-enyl)-3,4-dihydro-2H-naphthalene-1,2-diamine

C18H28N2 — CID 43830945

IUPAC2-N,2-N-diethyl-1-(2-methylprop-2-enyl)-3,4-dihydro-2H-naphthalene-1,2-diamine
SMILESC=C(C)CC1(N)c2ccccc2CCC1N(CC)CC
InChIInChI=1S/C18H28N2/c1-5-20(6-2)17-12-11-15-9-7-8-10-16(15)18(17,19)13-14(3)4/h7-10,17H,3,5-6,11-13,19H2,1-2,4H3
InChIKeyRLDGFYIKDHQOCI-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.46
Rot. Bonds5

About 2-N,2-N-diethyl-1-(2-methylprop-2-enyl)-3,4-dihydro-2H-naphthalene-1,2-diamine

2-N,2-N-diethyl-1-(2-methylprop-2-enyl)-3,4-dihydro-2H-naphthalene-1,2-diamine (PubChem CID 43830945) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 2-N,2-N-diethyl-1-(2-methylprop-2-enyl)-3,4-dihydro-2H-naphthalene-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-1-(2-methylprop-2-enyl)-3,4-dihydro-2H-naphthalene-1,2-diamine
PubChem CID43830945
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name2-N,2-N-diethyl-1-(2-methylprop-2-enyl)-3,4-dihydro-2H-naphthalene-1,2-diamine
SMILESC=C(C)CC1(N)c2ccccc2CCC1N(CC)CC
InChIInChI=1S/C18H28N2/c1-5-20(6-2)17-12-11-15-9-7-8-10-16(15)18(17,19)13-14(3)4/h7-10,17H,3,5-6,11-13,19H2,1-2,4H3
InChIKeyRLDGFYIKDHQOCI-UHFFFAOYSA-N
XLogP3.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-N,2-N-diethyl-1-propan-2-yl-3,4-dihydro-2H-naphthalene-1,2-diamine
CID 43830917
2-N,2-N-diethyl-1-prop-2-enyl-2,3-dihydroindene-1,2-diamine
CID 43831011
2-piperidin-1-yl-1-propyl-3,4-dihydro-2H-naphthalen-1-amine
CID 43830913
2-N,2-N-dimethyl-1-propyl-2,3-dihydroindene-1,2-diamine
CID 43830978
1-butyl-2-N,2-N-bis(prop-2-enyl)-2,3-dihydroindene-1,2-diamine
CID 43830997
1-butyl-2-N,2-N-dipropyl-2,3-dihydroindene-1,2-diamine
CID 43830996
N,N-diethylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine
CID 20562141
(1,1-diethyl-3,4-dihydro-2H-naphthalen-2-yl)methanol
CID 176704154
N-methyl-N-(2-methylprop-2-enyl)-2,3-dihydro-1H-inden-1-amine
CID 134049939
3-methyl-3-propyl-1,2-dihydroindene
CID 145156021
4,9,10,10a-tetrahydro-1H-phenanthren-4a-yl(ethyl)carbamic acid
CID 19107071
[(4aS,10aS)-4,9,10,10a-tetrahydro-1H-phenanthren-4a-yl]-ethylcarbamic acid
CID 67820613

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-1-(2-methylprop-2-enyl)-3,4-dihydro-2H-naphthalene-1,2-diamine?
The IUPAC name of 2-N,2-N-diethyl-1-(2-methylprop-2-enyl)-3,4-dihydro-2H-naphthalene-1,2-diamine (CID 43830945) is 2-N,2-N-diethyl-1-(2-methylprop-2-enyl)-3,4-dihydro-2H-naphthalene-1,2-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-1-(2-methylprop-2-enyl)-3,4-dihydro-2H-naphthalene-1,2-diamine?
The canonical SMILES for 2-N,2-N-diethyl-1-(2-methylprop-2-enyl)-3,4-dihydro-2H-naphthalene-1,2-diamine is C=C(C)CC1(N)c2ccccc2CCC1N(CC)CC.
What is the InChIKey of 2-N,2-N-diethyl-1-(2-methylprop-2-enyl)-3,4-dihydro-2H-naphthalene-1,2-diamine?
The InChIKey is RLDGFYIKDHQOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-5-20(6-2)17-12-11-15-9-7-8-10-16(15)18(17,19)13-14(3)4/h7-10,17H,3,5-6,11-13,19H2,1-2,4H3.
What are the key properties of 2-N,2-N-diethyl-1-(2-methylprop-2-enyl)-3,4-dihydro-2H-naphthalene-1,2-diamine?
2-N,2-N-diethyl-1-(2-methylprop-2-enyl)-3,4-dihydro-2H-naphthalene-1,2-diamine has a molecular weight of 272.44 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-1-(2-methylprop-2-enyl)-3,4-dihydro-2H-naphthalene-1,2-diamine is sourced from PubChem (CID 43830945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).