4,4-dimethyl-1-(methylamino)-2-naphthalen-1-ylpentan-3-ol

C18H25NO — CID 68740901

IUPAC4,4-dimethyl-1-(methylamino)-2-naphthalen-1-ylpentan-3-ol
SMILESCNCC(c1cccc2ccccc12)C(O)C(C)(C)C
InChIInChI=1S/C18H25NO/c1-18(2,3)17(20)16(12-19-4)15-11-7-9-13-8-5-6-10-14(13)15/h5-11,16-17,19-20H,12H2,1-4H3
InChIKeyZPJYRNPUTSOTAX-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.55
Rot. Bonds4

About 4,4-dimethyl-1-(methylamino)-2-naphthalen-1-ylpentan-3-ol

4,4-dimethyl-1-(methylamino)-2-naphthalen-1-ylpentan-3-ol (PubChem CID 68740901) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 4,4-dimethyl-1-(methylamino)-2-naphthalen-1-ylpentan-3-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-(methylamino)-2-naphthalen-1-ylpentan-3-ol
PubChem CID68740901
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name4,4-dimethyl-1-(methylamino)-2-naphthalen-1-ylpentan-3-ol
SMILESCNCC(c1cccc2ccccc12)C(O)C(C)(C)C
InChIInChI=1S/C18H25NO/c1-18(2,3)17(20)16(12-19-4)15-11-7-9-13-8-5-6-10-14(13)15/h5-11,16-17,19-20H,12H2,1-4H3
InChIKeyZPJYRNPUTSOTAX-UHFFFAOYSA-N
XLogP3.55
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3R)-4,4-dimethyl-1-(methylamino)-2-naphthalen-1-ylpentan-3-ol
CID 68739670
(2S,3R)-4,4-dimethyl-1-(methylamino)-2-naphthalen-2-ylpentan-3-ol
CID 20631914
3-(methylamino)-1-naphthalen-1-ylpropane-1,2-diol
CID 171858135
(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897
2-ethoxy-N-methyl-2-naphthalen-1-ylethanamine
CID 53276223
3-methyl-1-(1-naphthalen-1-ylethylamino)butan-2-ol
CID 115677077
1-(2-naphthalen-1-ylpentan-3-yl)naphthalene
CID 57238705
N-ethyl-2,2-dimethyl-1-naphthalen-1-ylpropan-1-amine
CID 62716904
methanol;1-(2,2,5-trimethylhexan-3-yl)naphthalene
CID 144559923
(1S)-2-chloro-1-naphthalen-1-ylethanol
CID 68839318
(1R)-1-naphthalen-1-ylpropan-1-ol
CID 10877844
3-naphthalen-1-ylpentane-2,4-diol
CID 140608407

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(methylamino)-2-naphthalen-1-ylpentan-3-ol?
The IUPAC name of 4,4-dimethyl-1-(methylamino)-2-naphthalen-1-ylpentan-3-ol (CID 68740901) is 4,4-dimethyl-1-(methylamino)-2-naphthalen-1-ylpentan-3-ol.
What is the SMILES notation for 4,4-dimethyl-1-(methylamino)-2-naphthalen-1-ylpentan-3-ol?
The canonical SMILES for 4,4-dimethyl-1-(methylamino)-2-naphthalen-1-ylpentan-3-ol is CNCC(c1cccc2ccccc12)C(O)C(C)(C)C.
What is the InChIKey of 4,4-dimethyl-1-(methylamino)-2-naphthalen-1-ylpentan-3-ol?
The InChIKey is ZPJYRNPUTSOTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-18(2,3)17(20)16(12-19-4)15-11-7-9-13-8-5-6-10-14(13)15/h5-11,16-17,19-20H,12H2,1-4H3.
What are the key properties of 4,4-dimethyl-1-(methylamino)-2-naphthalen-1-ylpentan-3-ol?
4,4-dimethyl-1-(methylamino)-2-naphthalen-1-ylpentan-3-ol has a molecular weight of 271.40 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(methylamino)-2-naphthalen-1-ylpentan-3-ol is sourced from PubChem (CID 68740901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).