N-tert-butyl-3-methyl-2-(naphthalen-1-ylmethylidene)butan-1-amine

C20H27N — CID 79342653

IUPACN-tert-butyl-3-methyl-2-(naphthalen-1-ylmethylidene)butan-1-amine
SMILESCC(C)C(=Cc1cccc2ccccc12)CNC(C)(C)C
InChIInChI=1S/C20H27N/c1-15(2)18(14-21-20(3,4)5)13-17-11-8-10-16-9-6-7-12-19(16)17/h6-13,15,21H,14H2,1-5H3
InChIKeyUNIJZJKJJAYKKN-UHFFFAOYSA-N
MW281.44 g/mol
LogP5.27
Rot. Bonds4

About N-tert-butyl-3-methyl-2-(naphthalen-1-ylmethylidene)butan-1-amine

N-tert-butyl-3-methyl-2-(naphthalen-1-ylmethylidene)butan-1-amine (PubChem CID 79342653) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is N-tert-butyl-3-methyl-2-(naphthalen-1-ylmethylidene)butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3-methyl-2-(naphthalen-1-ylmethylidene)butan-1-amine
PubChem CID79342653
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC NameN-tert-butyl-3-methyl-2-(naphthalen-1-ylmethylidene)butan-1-amine
SMILESCC(C)C(=Cc1cccc2ccccc12)CNC(C)(C)C
InChIInChI=1S/C20H27N/c1-15(2)18(14-21-20(3,4)5)13-17-11-8-10-16-9-6-7-12-19(16)17/h6-13,15,21H,14H2,1-5H3
InChIKeyUNIJZJKJJAYKKN-UHFFFAOYSA-N
XLogP5.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.44
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(bromomethyl)-3-methylbut-1-enyl]naphthalene
CID 79323139
2-[(5-bromo-2-methoxyphenyl)methylidene]-N-tert-butyl-3-methylbutan-1-amine
CID 79338927
2-(tert-butylamino)-N-(naphthalen-1-ylmethyl)acetamide
CID 47185263
(2Z)-N-tert-butyl-2-[[4-(difluoromethyl)phenyl]methylidene]-3-methylbutan-1-amine
CID 115525791
1-(2,2-difluoroethenyl)naphthalene;ethane
CID 91067867
N-tert-butyl-3-methyl-2-[(4-propan-2-yloxyphenyl)methylidene]butan-1-amine
CID 79342446
(E)-N-tert-butyl-2-methyl-3-naphthalen-1-ylprop-2-en-1-imine oxide
CID 23241200
1,4-dinaphthalen-1-ylbuta-1,3-diene-2,3-diamine
CID 87961483
1-(2,2-dibromoethenyl)naphthalene
CID 12642645
N-[(2Z)-2-(isoquinolin-4-ylmethylidene)-3-methylbutyl]cyclopropanamine
CID 104505397
(2Z)-2-[(4-bromo-2-nitrophenyl)methylidene]-N-tert-butyl-3-methylbutan-1-amine
CID 114385867
N-tert-butyl-2-[(2-tert-butyl-1,3-thiazol-4-yl)methylidene]-3-methylbutan-1-amine
CID 104863094

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-methyl-2-(naphthalen-1-ylmethylidene)butan-1-amine?
The IUPAC name of N-tert-butyl-3-methyl-2-(naphthalen-1-ylmethylidene)butan-1-amine (CID 79342653) is N-tert-butyl-3-methyl-2-(naphthalen-1-ylmethylidene)butan-1-amine.
What is the SMILES notation for N-tert-butyl-3-methyl-2-(naphthalen-1-ylmethylidene)butan-1-amine?
The canonical SMILES for N-tert-butyl-3-methyl-2-(naphthalen-1-ylmethylidene)butan-1-amine is CC(C)C(=Cc1cccc2ccccc12)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-3-methyl-2-(naphthalen-1-ylmethylidene)butan-1-amine?
The InChIKey is UNIJZJKJJAYKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-15(2)18(14-21-20(3,4)5)13-17-11-8-10-16-9-6-7-12-19(16)17/h6-13,15,21H,14H2,1-5H3.
What are the key properties of N-tert-butyl-3-methyl-2-(naphthalen-1-ylmethylidene)butan-1-amine?
N-tert-butyl-3-methyl-2-(naphthalen-1-ylmethylidene)butan-1-amine has a molecular weight of 281.44 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-methyl-2-(naphthalen-1-ylmethylidene)butan-1-amine is sourced from PubChem (CID 79342653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).