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

C20H30N2 — CID 125480001

IUPAC(2S)-2-[(2S)-butan-2-yl]-N',N'-dimethyl-2-naphthalen-1-ylbutane-1,4-diamine
SMILESCC[C@H](C)[C@@](CN)(CCN(C)C)c1cccc2ccccc12
InChIInChI=1S/C20H30N2/c1-5-16(2)20(15-21,13-14-22(3)4)19-12-8-10-17-9-6-7-11-18(17)19/h6-12,16H,5,13-15,21H2,1-4H3/t16-,20-/m0/s1
InChIKeyRCABMDJGNPCRLM-JXFKEZNVSA-N
MW298.47 g/mol
LogP4.03
Rot. Bonds7

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

(2S)-2-[(2S)-butan-2-yl]-N',N'-dimethyl-2-naphthalen-1-ylbutane-1,4-diamine (PubChem CID 125480001) has the molecular formula C20H30N2 and a molecular weight of 298.47 g/mol. Its IUPAC name is (2S)-2-[(2S)-butan-2-yl]-N',N'-dimethyl-2-naphthalen-1-ylbutane-1,4-diamine.

Molecular Properties

Compound Name(2S)-2-[(2S)-butan-2-yl]-N',N'-dimethyl-2-naphthalen-1-ylbutane-1,4-diamine
PubChem CID125480001
Molecular FormulaC20H30N2
Molecular Weight298.47 g/mol
Exact Mass298.24
IUPAC Name(2S)-2-[(2S)-butan-2-yl]-N',N'-dimethyl-2-naphthalen-1-ylbutane-1,4-diamine
SMILESCC[C@H](C)[C@@](CN)(CCN(C)C)c1cccc2ccccc12
InChIInChI=1S/C20H30N2/c1-5-16(2)20(15-21,13-14-22(3)4)19-12-8-10-17-9-6-7-11-18(17)19/h6-12,16H,5,13-15,21H2,1-4H3/t16-,20-/m0/s1
InChIKeyRCABMDJGNPCRLM-JXFKEZNVSA-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 (2S)-2-[(2S)-butan-2-yl]-N',N'-dimethyl-2-naphthalen-1-ylbutane-1,4-diamine with MolForge

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Related Compounds

(2R)-2-[(2S)-butan-2-yl]-N',N'-dimethyl-2-naphthalen-1-ylbutane-1,4-diamine
CID 125480002
(2R)-N'-ethyl-N'-methyl-2-naphthalen-1-yl-2-propan-2-ylbutane-1,4-diamine
CID 125480014
(2R)-2-[(2R)-butan-2-yl]-N',N'-dimethyl-2-naphthalen-2-ylbutane-1,4-diamine
CID 125479906
(2S)-2-ethyl-N',N'-dimethyl-2-naphthalen-1-ylbutane-1,4-diamine
CID 125479768
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
(2R)-2-[2-(dimethylamino)ethyl]-2-naphthalen-1-ylpentanenitrile
CID 125482749
6-(dimethylamino)-2-naphthalen-1-yl-2-propan-2-ylhexanoic acid
CID 23153
N-ethyl-2-methyl-3-naphthalen-1-ylpentan-3-amine
CID 123398082
(3-carboxy-4-methyl-3-naphthalen-1-ylhexyl)-dimethylazanium chloride
CID 23145
1,1-difluoro-1-naphthalen-1-ylpropan-2-amine
CID 116839348
3-methyl-3-naphthalen-1-yl-N-propan-2-ylbutan-1-amine
CID 79830054

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2S)-butan-2-yl]-N',N'-dimethyl-2-naphthalen-1-ylbutane-1,4-diamine?
The IUPAC name of (2S)-2-[(2S)-butan-2-yl]-N',N'-dimethyl-2-naphthalen-1-ylbutane-1,4-diamine (CID 125480001) is (2S)-2-[(2S)-butan-2-yl]-N',N'-dimethyl-2-naphthalen-1-ylbutane-1,4-diamine.
What is the SMILES notation for (2S)-2-[(2S)-butan-2-yl]-N',N'-dimethyl-2-naphthalen-1-ylbutane-1,4-diamine?
The canonical SMILES for (2S)-2-[(2S)-butan-2-yl]-N',N'-dimethyl-2-naphthalen-1-ylbutane-1,4-diamine is CC[C@H](C)[C@@](CN)(CCN(C)C)c1cccc2ccccc12.
What is the InChIKey of (2S)-2-[(2S)-butan-2-yl]-N',N'-dimethyl-2-naphthalen-1-ylbutane-1,4-diamine?
The InChIKey is RCABMDJGNPCRLM-JXFKEZNVSA-N. The full InChI is InChI=1S/C20H30N2/c1-5-16(2)20(15-21,13-14-22(3)4)19-12-8-10-17-9-6-7-11-18(17)19/h6-12,16H,5,13-15,21H2,1-4H3/t16-,20-/m0/s1.
What are the key properties of (2S)-2-[(2S)-butan-2-yl]-N',N'-dimethyl-2-naphthalen-1-ylbutane-1,4-diamine?
(2S)-2-[(2S)-butan-2-yl]-N',N'-dimethyl-2-naphthalen-1-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 (2S)-2-[(2S)-butan-2-yl]-N',N'-dimethyl-2-naphthalen-1-ylbutane-1,4-diamine is sourced from PubChem (CID 125480001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).