(2R)-N'-ethyl-N'-methyl-2-naphthalen-1-yl-2-propan-2-ylbutane-1,4-diamine

C20H30N2 — CID 125480014

IUPAC(2R)-N'-ethyl-N'-methyl-2-naphthalen-1-yl-2-propan-2-ylbutane-1,4-diamine
SMILESCCN(C)CC[C@](CN)(c1cccc2ccccc12)C(C)C
InChIInChI=1S/C20H30N2/c1-5-22(4)14-13-20(15-21,16(2)3)19-12-8-10-17-9-6-7-11-18(17)19/h6-12,16H,5,13-15,21H2,1-4H3/t20-/m1/s1
InChIKeyRUACAJJGLISJND-HXUWFJFHSA-N
MW298.47 g/mol
LogP4.03
Rot. Bonds7

About (2R)-N'-ethyl-N'-methyl-2-naphthalen-1-yl-2-propan-2-ylbutane-1,4-diamine

(2R)-N'-ethyl-N'-methyl-2-naphthalen-1-yl-2-propan-2-ylbutane-1,4-diamine (PubChem CID 125480014) has the molecular formula C20H30N2 and a molecular weight of 298.47 g/mol. Its IUPAC name is (2R)-N'-ethyl-N'-methyl-2-naphthalen-1-yl-2-propan-2-ylbutane-1,4-diamine.

Molecular Properties

Compound Name(2R)-N'-ethyl-N'-methyl-2-naphthalen-1-yl-2-propan-2-ylbutane-1,4-diamine
PubChem CID125480014
Molecular FormulaC20H30N2
Molecular Weight298.47 g/mol
Exact Mass298.24
IUPAC Name(2R)-N'-ethyl-N'-methyl-2-naphthalen-1-yl-2-propan-2-ylbutane-1,4-diamine
SMILESCCN(C)CC[C@](CN)(c1cccc2ccccc12)C(C)C
InChIInChI=1S/C20H30N2/c1-5-22(4)14-13-20(15-21,16(2)3)19-12-8-10-17-9-6-7-11-18(17)19/h6-12,16H,5,13-15,21H2,1-4H3/t20-/m1/s1
InChIKeyRUACAJJGLISJND-HXUWFJFHSA-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

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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
N,N-dimethyl-2-naphthalen-1-yl-2-propan-2-ylbutane-1,4-diamine
CID 53431573
(2S)-2-ethyl-N',N'-dimethyl-2-naphthalen-1-ylbutane-1,4-diamine
CID 125479768
3-methyl-2-naphthalen-1-ylbutan-2-ol
CID 11830817
(2R)-2-[(2R)-butan-2-yl]-N',N'-dimethyl-2-naphthalen-2-ylbutane-1,4-diamine
CID 125479906
2-(dimethylamino)-2-naphthalen-1-ylbutan-1-ol
CID 10847834
2-[2-(diethylamino)ethyl]-3-methyl-2-naphthalen-1-ylbutanoic acid;hydrochloride
CID 138400958
N-ethyl-2-methyl-3-naphthalen-1-ylpentan-3-amine
CID 123398082
4-amino-3-methyl-3-naphthalen-1-ylpentan-1-ol
CID 66089361
1,1-difluoro-1-naphthalen-1-ylpropan-2-amine
CID 116839348
6-(dimethylamino)-2-naphthalen-1-yl-2-propan-2-ylhexanoic acid
CID 23153

Frequently Asked Questions

What is the IUPAC name of (2R)-N'-ethyl-N'-methyl-2-naphthalen-1-yl-2-propan-2-ylbutane-1,4-diamine?
The IUPAC name of (2R)-N'-ethyl-N'-methyl-2-naphthalen-1-yl-2-propan-2-ylbutane-1,4-diamine (CID 125480014) is (2R)-N'-ethyl-N'-methyl-2-naphthalen-1-yl-2-propan-2-ylbutane-1,4-diamine.
What is the SMILES notation for (2R)-N'-ethyl-N'-methyl-2-naphthalen-1-yl-2-propan-2-ylbutane-1,4-diamine?
The canonical SMILES for (2R)-N'-ethyl-N'-methyl-2-naphthalen-1-yl-2-propan-2-ylbutane-1,4-diamine is CCN(C)CC[C@](CN)(c1cccc2ccccc12)C(C)C.
What is the InChIKey of (2R)-N'-ethyl-N'-methyl-2-naphthalen-1-yl-2-propan-2-ylbutane-1,4-diamine?
The InChIKey is RUACAJJGLISJND-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H30N2/c1-5-22(4)14-13-20(15-21,16(2)3)19-12-8-10-17-9-6-7-11-18(17)19/h6-12,16H,5,13-15,21H2,1-4H3/t20-/m1/s1.
What are the key properties of (2R)-N'-ethyl-N'-methyl-2-naphthalen-1-yl-2-propan-2-ylbutane-1,4-diamine?
(2R)-N'-ethyl-N'-methyl-2-naphthalen-1-yl-2-propan-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)-N'-ethyl-N'-methyl-2-naphthalen-1-yl-2-propan-2-ylbutane-1,4-diamine is sourced from PubChem (CID 125480014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).