(2S)-2-ethyl-N',N'-dimethyl-2-naphthalen-1-ylbutane-1,4-diamine

C18H26N2 — CID 125479768

IUPAC(2S)-2-ethyl-N',N'-dimethyl-2-naphthalen-1-ylbutane-1,4-diamine
SMILESCC[C@](CN)(CCN(C)C)c1cccc2ccccc12
InChIInChI=1S/C18H26N2/c1-4-18(14-19,12-13-20(2)3)17-11-7-9-15-8-5-6-10-16(15)17/h5-11H,4,12-14,19H2,1-3H3/t18-/m1/s1
InChIKeyIWAFMJZSHMNXLI-GOSISDBHSA-N
MW270.42 g/mol
LogP3.40
Rot. Bonds6

About (2S)-2-ethyl-N',N'-dimethyl-2-naphthalen-1-ylbutane-1,4-diamine

(2S)-2-ethyl-N',N'-dimethyl-2-naphthalen-1-ylbutane-1,4-diamine (PubChem CID 125479768) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is (2S)-2-ethyl-N',N'-dimethyl-2-naphthalen-1-ylbutane-1,4-diamine.

Molecular Properties

Compound Name(2S)-2-ethyl-N',N'-dimethyl-2-naphthalen-1-ylbutane-1,4-diamine
PubChem CID125479768
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name(2S)-2-ethyl-N',N'-dimethyl-2-naphthalen-1-ylbutane-1,4-diamine
SMILESCC[C@](CN)(CCN(C)C)c1cccc2ccccc12
InChIInChI=1S/C18H26N2/c1-4-18(14-19,12-13-20(2)3)17-11-7-9-15-8-5-6-10-16(15)17/h5-11H,4,12-14,19H2,1-3H3/t18-/m1/s1
InChIKeyIWAFMJZSHMNXLI-GOSISDBHSA-N
XLogP3.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(2S)-butan-2-yl]-N',N'-dimethyl-2-naphthalen-1-ylbutane-1,4-diamine
CID 125480001
(2R)-2-[(2S)-butan-2-yl]-N',N'-dimethyl-2-naphthalen-1-ylbutane-1,4-diamine
CID 125480002
(2R)-2-[2-(dimethylamino)ethyl]-2-naphthalen-1-ylpentanenitrile
CID 125482749
(2R)-N'-ethyl-N'-methyl-2-naphthalen-1-yl-2-propan-2-ylbutane-1,4-diamine
CID 125480014
2-ethyl-2-(2-methylphenyl)butan-1-amine
CID 60987168
2-[2-(dimethylamino)ethyl]-3-methyl-2-naphthalen-1-ylpentanoic acid;hydrochloride
CID 134105469
N,N-dimethyl-2-naphthalen-1-yl-2-propan-2-ylbutane-1,4-diamine
CID 53431573
2-(dimethylamino)-2-naphthalen-1-ylbutan-1-ol
CID 10847834
2-[methyl(naphthalen-1-yl)amino]ethanethiol
CID 115223888
N-ethyl-2-methyl-3-naphthalen-1-ylpentan-3-amine
CID 123398082
1-(1,1-dinaphthalen-1-ylethyl)naphthalene
CID 91541516
4-naphthalen-1-ylheptan-4-ol
CID 114866255

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethyl-N',N'-dimethyl-2-naphthalen-1-ylbutane-1,4-diamine?
The IUPAC name of (2S)-2-ethyl-N',N'-dimethyl-2-naphthalen-1-ylbutane-1,4-diamine (CID 125479768) is (2S)-2-ethyl-N',N'-dimethyl-2-naphthalen-1-ylbutane-1,4-diamine.
What is the SMILES notation for (2S)-2-ethyl-N',N'-dimethyl-2-naphthalen-1-ylbutane-1,4-diamine?
The canonical SMILES for (2S)-2-ethyl-N',N'-dimethyl-2-naphthalen-1-ylbutane-1,4-diamine is CC[C@](CN)(CCN(C)C)c1cccc2ccccc12.
What is the InChIKey of (2S)-2-ethyl-N',N'-dimethyl-2-naphthalen-1-ylbutane-1,4-diamine?
The InChIKey is IWAFMJZSHMNXLI-GOSISDBHSA-N. The full InChI is InChI=1S/C18H26N2/c1-4-18(14-19,12-13-20(2)3)17-11-7-9-15-8-5-6-10-16(15)17/h5-11H,4,12-14,19H2,1-3H3/t18-/m1/s1.
What are the key properties of (2S)-2-ethyl-N',N'-dimethyl-2-naphthalen-1-ylbutane-1,4-diamine?
(2S)-2-ethyl-N',N'-dimethyl-2-naphthalen-1-ylbutane-1,4-diamine has a molecular weight of 270.42 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethyl-N',N'-dimethyl-2-naphthalen-1-ylbutane-1,4-diamine is sourced from PubChem (CID 125479768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).