(2R)-2-[(2R)-butan-2-yl]-N',N'-dimethyl-2-naphthalen-2-ylbutane-1,4-diamine

C20H30N2 — CID 125479906

IUPAC(2R)-2-[(2R)-butan-2-yl]-N',N'-dimethyl-2-naphthalen-2-ylbutane-1,4-diamine
SMILESCC[C@@H](C)[C@](CN)(CCN(C)C)c1ccc2ccccc2c1
InChIInChI=1S/C20H30N2/c1-5-16(2)20(15-21,12-13-22(3)4)19-11-10-17-8-6-7-9-18(17)14-19/h6-11,14,16H,5,12-13,15,21H2,1-4H3/t16-,20-/m1/s1
InChIKeyMWJGVXDPTNJLCE-OXQOHEQNSA-N
MW298.47 g/mol
LogP4.03
Rot. Bonds7

About (2R)-2-[(2R)-butan-2-yl]-N',N'-dimethyl-2-naphthalen-2-ylbutane-1,4-diamine

(2R)-2-[(2R)-butan-2-yl]-N',N'-dimethyl-2-naphthalen-2-ylbutane-1,4-diamine (PubChem CID 125479906) has the molecular formula C20H30N2 and a molecular weight of 298.47 g/mol. Its IUPAC name is (2R)-2-[(2R)-butan-2-yl]-N',N'-dimethyl-2-naphthalen-2-ylbutane-1,4-diamine.

Molecular Properties

Compound Name(2R)-2-[(2R)-butan-2-yl]-N',N'-dimethyl-2-naphthalen-2-ylbutane-1,4-diamine
PubChem CID125479906
Molecular FormulaC20H30N2
Molecular Weight298.47 g/mol
Exact Mass298.24
IUPAC Name(2R)-2-[(2R)-butan-2-yl]-N',N'-dimethyl-2-naphthalen-2-ylbutane-1,4-diamine
SMILESCC[C@@H](C)[C@](CN)(CCN(C)C)c1ccc2ccccc2c1
InChIInChI=1S/C20H30N2/c1-5-16(2)20(15-21,12-13-22(3)4)19-11-10-17-8-6-7-9-18(17)14-19/h6-11,14,16H,5,12-13,15,21H2,1-4H3/t16-,20-/m1/s1
InChIKeyMWJGVXDPTNJLCE-OXQOHEQNSA-N
XLogP4.03
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-2-[(2R)-butan-2-yl]-N',N'-dimethyl-2-naphthalen-2-ylbutane-1,4-diamine with MolForge

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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,3R)-2-[2-(dimethylamino)ethyl]-3-methyl-2-naphthalen-2-ylpentanenitrile
CID 125486667
4-(dimethylamino)-2-naphthalen-2-ylbutan-2-ol
CID 85377854
(2R)-N'-ethyl-N'-methyl-2-naphthalen-1-yl-2-propan-2-ylbutane-1,4-diamine
CID 125480014
1-amino-2-naphthalen-2-ylpropan-2-ol
CID 62773964
trinaphthalen-2-ylmethanol
CID 10573628
2-N-methyl-2-N-(2-naphthalen-2-ylethyl)propane-1,2-diamine
CID 117040198
(2S)-2-ethyl-N',N'-dimethyl-2-naphthalen-1-ylbutane-1,4-diamine
CID 125479768
2-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine
CID 117048230
2-[2-(dimethylamino)ethyl]-3-methyl-2-naphthalen-1-ylpentanoic acid;hydrochloride
CID 134105469
N',N'-dimethyl-N-naphthalen-2-ylethane-1,2-diamine
CID 43401306

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R)-butan-2-yl]-N',N'-dimethyl-2-naphthalen-2-ylbutane-1,4-diamine?
The IUPAC name of (2R)-2-[(2R)-butan-2-yl]-N',N'-dimethyl-2-naphthalen-2-ylbutane-1,4-diamine (CID 125479906) is (2R)-2-[(2R)-butan-2-yl]-N',N'-dimethyl-2-naphthalen-2-ylbutane-1,4-diamine.
What is the SMILES notation for (2R)-2-[(2R)-butan-2-yl]-N',N'-dimethyl-2-naphthalen-2-ylbutane-1,4-diamine?
The canonical SMILES for (2R)-2-[(2R)-butan-2-yl]-N',N'-dimethyl-2-naphthalen-2-ylbutane-1,4-diamine is CC[C@@H](C)[C@](CN)(CCN(C)C)c1ccc2ccccc2c1.
What is the InChIKey of (2R)-2-[(2R)-butan-2-yl]-N',N'-dimethyl-2-naphthalen-2-ylbutane-1,4-diamine?
The InChIKey is MWJGVXDPTNJLCE-OXQOHEQNSA-N. The full InChI is InChI=1S/C20H30N2/c1-5-16(2)20(15-21,12-13-22(3)4)19-11-10-17-8-6-7-9-18(17)14-19/h6-11,14,16H,5,12-13,15,21H2,1-4H3/t16-,20-/m1/s1.
What are the key properties of (2R)-2-[(2R)-butan-2-yl]-N',N'-dimethyl-2-naphthalen-2-ylbutane-1,4-diamine?
(2R)-2-[(2R)-butan-2-yl]-N',N'-dimethyl-2-naphthalen-2-ylbutane-1,4-diamine has a molecular weight of 298.47 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2R)-butan-2-yl]-N',N'-dimethyl-2-naphthalen-2-ylbutane-1,4-diamine is sourced from PubChem (CID 125479906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).