1-[6-[bis(5-methyl-2-propan-2-ylcyclohexyl)amino]naphthalen-2-yl]propan-1-one

C33H49NO — CID 22413256

IUPAC1-[6-[bis(5-methyl-2-propan-2-ylcyclohexyl)amino]naphthalen-2-yl]propan-1-one
SMILESCCC(=O)c1ccc2cc(N(C3CC(C)CCC3C(C)C)C3CC(C)CCC3C(C)C)ccc2c1
InChIInChI=1S/C33H49NO/c1-8-33(35)27-12-11-26-20-28(14-13-25(26)19-27)34(31-17-23(6)9-15-29(31)21(2)3)32-18-24(7)10-16-30(32)22(4)5/h11-14,19-24,29-32H,8-10,15-18H2,1-7H3
InChIKeyOBZMKXHVFCVTMN-UHFFFAOYSA-N
MW475.76 g/mol
LogP9.16
Rot. Bonds7

About 1-[6-[bis(5-methyl-2-propan-2-ylcyclohexyl)amino]naphthalen-2-yl]propan-1-one

1-[6-[bis(5-methyl-2-propan-2-ylcyclohexyl)amino]naphthalen-2-yl]propan-1-one (PubChem CID 22413256) has the molecular formula C33H49NO and a molecular weight of 475.76 g/mol. Its IUPAC name is 1-[6-[bis(5-methyl-2-propan-2-ylcyclohexyl)amino]naphthalen-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[6-[bis(5-methyl-2-propan-2-ylcyclohexyl)amino]naphthalen-2-yl]propan-1-one
PubChem CID22413256
Molecular FormulaC33H49NO
Molecular Weight475.76 g/mol
Exact Mass475.38
IUPAC Name1-[6-[bis(5-methyl-2-propan-2-ylcyclohexyl)amino]naphthalen-2-yl]propan-1-one
SMILESCCC(=O)c1ccc2cc(N(C3CC(C)CCC3C(C)C)C3CC(C)CCC3C(C)C)ccc2c1
InChIInChI=1S/C33H49NO/c1-8-33(35)27-12-11-26-20-28(14-13-25(26)19-27)34(31-17-23(6)9-15-29(31)21(2)3)32-18-24(7)10-16-30(32)22(4)5/h11-14,19-24,29-32H,8-10,15-18H2,1-7H3
InChIKeyOBZMKXHVFCVTMN-UHFFFAOYSA-N
XLogP9.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.76
LogP ≤ 59.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[6-[bis(5-methyl-2-propan-2-ylcyclohexyl)amino]naphthalen-2-yl]propan-1-one with MolForge

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Related Compounds

1-[6-(dimethylamino)naphthalen-2-yl]propan-1-one;propane
CID 66749463
N,N-bis(5-methyl-2-propan-2-ylcyclohexyl)pyridin-4-amine
CID 22480097
N-ethyl-N-(5-methyl-2-propan-2-ylcyclohexyl)acetamide
CID 16734901
2-(N-(5-methyl-2-propan-2-ylcyclohexyl)anilino)acetic acid
CID 65057316
N-(4-methoxyphenyl)-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]formamide
CID 168868561
(5-methyl-2-propan-2-ylcyclohexyl)-(1-pyridin-4-ylethylideneamino)carbamic acid
CID 54177043
N-ethyl-N-(5-methyl-2-propan-2-ylcyclohexyl)formamide
CID 25195885
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl 4-hydroxybenzoate
CID 69438928
[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-naphthalen-2-ylmethylidene]tungsten
CID 11135871
1-(6-butanoylnaphthalen-2-yl)butan-1-one
CID 170450514
2-(5-methyl-2-propan-2-ylcyclohexyl)-2-phenoxyacetic acid
CID 118599668
2-[cyclopropyl-(5-methyl-2-propan-2-ylcyclohexyl)amino]acetic acid
CID 65057481

Frequently Asked Questions

What is the IUPAC name of 1-[6-[bis(5-methyl-2-propan-2-ylcyclohexyl)amino]naphthalen-2-yl]propan-1-one?
The IUPAC name of 1-[6-[bis(5-methyl-2-propan-2-ylcyclohexyl)amino]naphthalen-2-yl]propan-1-one (CID 22413256) is 1-[6-[bis(5-methyl-2-propan-2-ylcyclohexyl)amino]naphthalen-2-yl]propan-1-one.
What is the SMILES notation for 1-[6-[bis(5-methyl-2-propan-2-ylcyclohexyl)amino]naphthalen-2-yl]propan-1-one?
The canonical SMILES for 1-[6-[bis(5-methyl-2-propan-2-ylcyclohexyl)amino]naphthalen-2-yl]propan-1-one is CCC(=O)c1ccc2cc(N(C3CC(C)CCC3C(C)C)C3CC(C)CCC3C(C)C)ccc2c1.
What is the InChIKey of 1-[6-[bis(5-methyl-2-propan-2-ylcyclohexyl)amino]naphthalen-2-yl]propan-1-one?
The InChIKey is OBZMKXHVFCVTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H49NO/c1-8-33(35)27-12-11-26-20-28(14-13-25(26)19-27)34(31-17-23(6)9-15-29(31)21(2)3)32-18-24(7)10-16-30(32)22(4)5/h11-14,19-24,29-32H,8-10,15-18H2,1-7H3.
What are the key properties of 1-[6-[bis(5-methyl-2-propan-2-ylcyclohexyl)amino]naphthalen-2-yl]propan-1-one?
1-[6-[bis(5-methyl-2-propan-2-ylcyclohexyl)amino]naphthalen-2-yl]propan-1-one has a molecular weight of 475.76 g/mol, XLogP of 9.16, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[bis(5-methyl-2-propan-2-ylcyclohexyl)amino]naphthalen-2-yl]propan-1-one is sourced from PubChem (CID 22413256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).